#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a79 s SER 27 N 0.00 1.96 -0.12 -1.84 1.04 -1.26 -5.12 113.70 108.36 3a79 s SER 27 Ca 0.00 -0.34 -0.08 0.00 0.48 0.00 0.00 55.95 56.01 3a79 s SER 27 Cb 0.00 -0.90 -0.04 0.00 0.10 0.00 0.00 66.02 65.18 3a79 s SER 27 CO 0.00 0.05 0.17 -0.22 0.98 0.00 0.00 173.24 174.22 3a79 s LEU 28 N 0.60 4.38 0.00 2.42 0.20 -1.26 -4.87 118.68 120.15 3a79 s LEU 28 Ca -0.15 0.50 0.00 0.00 0.69 0.00 0.00 54.13 55.17 3a79 s LEU 28 Cb -0.16 -2.13 0.00 0.00 -0.43 0.00 0.00 46.19 43.47 3a79 s LEU 28 CO 0.04 0.37 0.00 -1.54 -0.29 0.00 0.00 176.35 174.93 3a79 n SER 29 N 2.17 0.00 0.00 3.68 3.41 -1.23 -5.03 113.62 116.62 3a79 n SER 29 Ca -0.19 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.42 3a79 n SER 29 Cb 0.54 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.49 3a79 n SER 29 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3a79 s ASP 31 N 0.00 1.31 0.07 0.00 3.84 -1.23 -4.87 116.67 115.79 3a79 s ASP 31 Ca 0.00 -1.63 -0.23 0.00 -0.00 0.00 0.00 52.55 50.69 3a79 s ASP 31 Cb 0.00 0.63 -0.15 0.00 -1.38 0.00 0.00 42.92 42.02 3a79 s ASP 31 CO 0.00 -1.23 1.65 0.00 -0.00 0.00 0.00 175.17 175.59 3a79 h ALA 32 N 2.10 0.03 -0.51 2.11 0.00 -2.02 -2.99 119.26 117.97 3a79 h ALA 32 Ca -0.27 -0.05 0.10 0.00 0.00 0.00 0.00 54.91 54.69 3a79 h ALA 32 Cb 1.24 -0.01 -0.10 0.00 0.00 0.00 0.00 17.79 18.92 3a79 h ALA 32 CO 0.37 -0.42 -0.19 0.77 0.00 0.00 0.00 179.25 179.78 3a79 h SER 33 N -0.07 -0.66 0.00 0.00 0.02 -1.98 -3.45 113.55 107.40 3a79 h SER 33 Ca 0.01 0.17 0.00 0.00 -0.84 0.00 0.00 61.79 61.13 3a79 h SER 33 Cb 0.10 0.39 0.00 0.00 0.14 0.00 0.00 62.40 63.03 3a79 h SER 33 CO -0.00 -0.22 0.00 0.61 -1.14 0.00 0.00 176.83 176.08 3a79 n GLY 34 N -1.40 0.40 3.36 -3.77 0.00 -1.13 -4.83 105.19 97.82 3a79 n GLY 34 Ca 0.04 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.62 3a79 n GLY 34 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3a79 s VAL 35 N -0.40 5.85 0.26 1.61 1.01 -1.26 0.02 120.40 127.48 3a79 s VAL 35 Ca 0.00 -3.27 -0.30 0.00 0.00 0.00 0.00 61.98 58.42 3a79 s VAL 35 Cb 0.00 -4.65 -0.09 0.00 0.00 0.00 0.00 36.38 31.64 3a79 s VAL 35 CO 0.00 -1.25 1.23 0.00 0.00 0.00 0.00 175.10 175.08 3a79 s ASP 37 N -0.27 4.54 -0.64 0.00 2.15 -1.26 -2.97 116.67 118.22 3a79 s ASP 37 Ca 0.50 -1.96 0.02 0.00 0.43 0.00 0.00 52.55 51.55 3a79 s ASP 37 Cb -0.35 -1.43 0.38 0.00 -0.30 0.00 0.00 42.92 41.22 3a79 s ASP 37 CO 0.43 -0.37 1.49 0.61 -0.17 0.00 0.00 175.17 177.16 3a79 n GLY 38 N 4.42 5.80 0.00 2.66 0.00 0.18 -3.48 105.19 114.77 3a79 n GLY 38 Ca 0.01 -2.65 0.00 0.00 0.00 0.00 0.00 46.02 43.38 3a79 n GLY 38 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3a79 n ARG 39 N -0.47 0.00 0.00 1.61 3.00 -1.12 -4.24 116.66 115.45 3a79 n ARG 39 Ca 0.45 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 58.30 3a79 n ARG 39 Cb 0.45 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.91 3a79 n ARG 39 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.63 178.06 3a79 n SER 40 N 0.00 0.87 -4.65 6.15 7.64 -1.25 -4.44 113.62 117.95 3a79 n SER 40 Ca 0.00 -1.73 -0.42 0.00 1.01 0.00 0.00 58.87 57.73 3a79 n SER 40 Cb 0.00 -0.43 -0.03 0.00 -1.01 0.00 0.00 64.21 62.74 3a79 n SER 40 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 3a79 s ARG 41 N -1.00 4.05 -0.89 1.43 3.00 -1.26 -4.83 118.95 119.46 3a79 s ARG 41 Ca 0.00 2.48 -0.25 0.00 0.00 0.00 0.00 55.73 57.96 3a79 s ARG 41 Cb 0.00 -4.15 -0.08 0.00 0.00 0.00 0.00 34.95 30.72 3a79 s ARG 41 CO 0.00 -1.05 2.07 0.45 0.00 0.00 0.00 175.30 176.77 3a79 s SER 42 N 4.60 4.79 0.29 0.23 0.15 -1.26 -4.84 113.70 117.66 3a79 s SER 42 Ca 0.87 -0.55 -0.06 0.00 0.70 0.00 0.00 55.95 56.92 3a79 s SER 42 Cb -0.40 -2.56 -0.05 0.00 -1.71 0.00 0.00 66.02 61.30 3a79 s SER 42 CO 0.39 -3.09 0.56 -0.36 1.20 0.00 0.00 173.24 171.94 3a79 s PHE 43 N 11.46 3.47 -0.03 3.44 2.99 -1.26 -4.87 117.98 133.17 3a79 s PHE 43 Ca 0.76 0.68 0.00 0.00 0.00 0.00 0.00 56.93 58.38 3a79 s PHE 43 Cb -0.08 -2.13 -0.00 0.00 0.00 0.00 0.00 43.02 40.81 3a79 s PHE 43 CO 0.02 0.17 0.26 0.25 -0.00 0.00 0.00 175.22 175.93 3a79 n THR 44 N -0.85 0.00 -3.71 0.64 -2.24 -1.26 -0.60 114.28 106.26 3a79 n THR 44 Ca -0.01 -0.50 -0.11 0.00 -2.27 0.00 0.00 64.05 61.16 3a79 n THR 44 Cb 0.54 1.00 -0.06 0.00 -2.10 0.00 0.00 70.33 69.71 3a79 n THR 44 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3a79 s SER 45 N -0.54 -0.17 0.06 3.42 1.04 -1.26 -4.26 113.70 111.99 3a79 s SER 45 Ca 0.00 -0.20 -0.32 0.00 0.48 0.00 0.00 55.95 55.91 3a79 s SER 45 Cb 0.00 0.40 -0.11 0.00 0.10 0.00 0.00 66.02 66.41 3a79 s SER 45 CO 0.01 -0.68 1.82 -0.38 0.98 0.00 0.00 173.24 174.99 3a79 n ILE 46 N 0.35 0.42 -1.43 -1.02 2.08 -1.26 -4.81 119.36 113.68 3a79 n ILE 46 Ca -0.18 -0.07 -0.56 0.00 0.56 0.00 0.00 62.75 62.50 3a79 n ILE 46 Cb 0.61 -1.98 -0.08 0.00 -0.75 0.00 0.00 39.64 37.43 3a79 n ILE 46 CO 0.00 0.00 0.00 -2.65 0.56 0.00 0.00 176.55 174.46 3a79 n PRO 47 N 5.78 0.00 -1.13 0.38 -0.02 -1.26 -4.90 135.00 133.85 3a79 n PRO 47 Ca 0.19 0.00 -0.33 0.00 -2.02 0.00 0.00 63.50 61.34 3a79 n PRO 47 Cb 0.34 -1.24 0.13 0.00 -0.02 0.00 0.00 33.50 32.70 3a79 n PRO 47 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 3a79 s SER 48 N 2.20 3.62 -0.22 2.55 0.01 -1.26 -4.49 113.70 116.11 3a79 s SER 48 Ca 0.86 2.37 -0.03 0.00 1.31 0.00 0.00 55.95 60.46 3a79 s SER 48 Cb -1.22 -2.59 0.01 0.00 0.21 0.00 0.00 66.02 62.43 3a79 s SER 48 CO 0.66 -2.65 0.06 0.61 0.41 0.00 0.00 173.24 172.33 3a79 n GLY 49 N 0.49 -3.65 3.39 3.44 0.00 -1.26 -5.04 105.19 102.56 3a79 n GLY 49 Ca 0.13 0.69 -0.30 0.00 0.00 0.00 0.00 46.02 46.55 3a79 n GLY 49 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3a79 s LEU 50 N -1.22 2.34 0.13 0.99 1.43 -1.26 -5.13 118.68 115.96 3a79 s LEU 50 Ca -0.07 -0.56 0.05 0.00 -1.03 0.00 0.00 54.13 52.52 3a79 s LEU 50 Cb 0.00 -1.36 -0.04 0.00 0.03 0.00 0.00 46.19 44.83 3a79 s LEU 50 CO 0.63 0.25 0.04 -0.89 0.23 0.00 0.00 176.35 176.60 3a79 s THR 51 N -0.89 4.07 -1.81 5.49 2.01 -1.26 -4.28 115.64 118.97 3a79 s THR 51 Ca 0.13 -1.12 0.00 0.00 0.31 0.00 0.00 61.69 61.01 3a79 s THR 51 Cb -0.10 -3.00 0.00 0.00 0.01 0.00 0.00 72.50 69.40 3a79 s THR 51 CO 0.04 0.00 0.70 0.00 -0.69 0.00 0.00 174.62 174.67 3a79 n ALA 52 N 0.15 2.25 -0.02 7.40 0.00 -1.25 -2.05 120.51 126.99 3a79 n ALA 52 Ca -0.10 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.31 3a79 n ALA 52 Cb 0.53 -1.00 -0.13 0.00 0.00 0.00 0.00 19.45 18.86 3a79 n ALA 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3a79 n ALA 53 N -0.38 1.83 -1.78 0.00 0.00 -1.26 -4.65 120.51 114.27 3a79 n ALA 53 Ca 0.00 -0.83 -0.42 0.00 0.00 0.00 0.00 53.44 52.19 3a79 n ALA 53 Cb 0.04 -0.67 -0.03 0.00 0.00 0.00 0.00 19.45 18.79 3a79 n ALA 53 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 3a79 s MET 54 N -2.81 4.15 -0.09 0.00 1.00 -0.87 -4.61 119.30 116.08 3a79 s MET 54 Ca -0.06 2.52 0.10 0.00 0.00 0.00 0.00 55.69 58.25 3a79 s MET 54 Cb 0.08 -3.48 -0.14 0.00 0.00 0.00 0.00 34.83 31.30 3a79 s MET 54 CO 0.83 -0.79 0.07 1.63 0.00 0.00 0.00 175.02 176.77 3a79 n LYS 55 N 5.27 1.97 -3.55 2.03 4.76 0.10 -3.49 118.16 125.25 3a79 n LYS 55 Ca 0.17 -0.02 -0.24 0.00 -2.87 0.00 0.00 58.31 55.34 3a79 n LYS 55 Cb 0.38 -1.27 -0.15 0.00 -1.84 0.00 0.00 35.03 32.15 3a79 n LYS 55 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 3a79 s SER 56 N -4.14 2.36 -0.18 4.39 0.15 -0.86 0.81 113.70 116.22 3a79 s SER 56 Ca -0.05 -0.70 -0.10 0.00 0.70 0.00 0.00 55.95 55.81 3a79 s SER 56 Cb 0.04 -0.07 -0.05 0.00 -1.71 0.00 0.00 66.02 64.23 3a79 s SER 56 CO 0.44 -0.37 0.15 -0.22 1.20 0.00 0.00 173.24 174.44 3a79 s LEU 57 N 2.19 4.25 -0.31 3.45 2.96 0.38 -1.30 118.68 130.30 3a79 s LEU 57 Ca 0.05 0.30 0.01 0.00 -0.22 0.00 0.00 54.13 54.28 3a79 s LEU 57 Cb -0.16 -2.11 0.09 0.00 0.50 0.00 0.00 46.19 44.51 3a79 s LEU 57 CO -0.18 0.22 0.05 -0.62 -1.32 0.00 0.00 176.35 174.50 3a79 s ASP 58 N 0.10 4.28 -0.58 3.68 3.68 -1.16 -0.80 116.67 125.87 3a79 s ASP 58 Ca 0.10 -1.76 0.03 0.00 2.13 0.00 0.00 52.55 53.05 3a79 s ASP 58 Cb -0.11 -1.22 0.39 0.00 -1.45 0.00 0.00 42.92 40.53 3a79 s ASP 58 CO -0.00 -0.37 1.37 0.18 0.13 0.00 0.00 175.17 176.48 3a79 n LEU 59 N 4.58 5.55 -4.82 -1.34 4.77 -0.25 -0.65 117.00 124.85 3a79 n LEU 59 Ca -0.01 -5.16 -0.34 0.00 -0.03 0.00 0.00 56.01 50.47 3a79 n LEU 59 Cb 0.42 -0.66 -0.07 0.00 -2.33 0.00 0.00 43.42 40.79 3a79 n LEU 59 CO 0.17 2.11 0.57 -0.44 -1.33 0.00 0.00 177.39 178.47 3a79 s SER 60 N -2.79 6.98 -0.55 -1.43 0.01 -1.22 -4.44 113.70 110.25 3a79 s SER 60 Ca 0.49 1.59 -0.02 0.00 1.31 0.00 0.00 55.95 59.32 3a79 s SER 60 Cb 0.39 -2.50 0.00 0.00 0.21 0.00 0.00 66.02 64.13 3a79 s SER 60 CO -0.25 -0.24 0.47 0.49 0.41 0.00 0.00 173.24 174.13 3a79 n PHE 61 N -0.26 -1.11 -4.22 2.43 3.01 -1.02 -3.75 117.46 112.54 3a79 n PHE 61 Ca 0.05 0.42 -0.10 0.00 1.01 0.00 0.00 57.45 58.82 3a79 n PHE 61 Cb 0.53 -3.01 -0.02 0.00 -0.01 0.00 0.00 39.48 36.97 3a79 n PHE 61 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 3a79 n ASN 62 N -1.11 1.80 -2.92 4.37 4.13 -1.26 -4.69 115.26 115.57 3a79 n ASN 62 Ca -0.05 -1.78 -0.36 0.00 1.68 0.00 0.00 54.58 54.06 3a79 n ASN 62 Cb 0.55 0.24 0.02 0.00 -1.54 0.00 0.00 39.78 39.05 3a79 n ASN 62 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 3a79 n LYS 63 N -0.39 3.32 -1.25 3.52 5.02 0.23 -1.49 118.16 127.13 3a79 n LYS 63 Ca -0.05 -3.99 -0.36 0.00 -2.02 0.00 0.00 58.31 51.89 3a79 n LYS 63 Cb 0.22 -2.29 -0.02 0.00 -0.02 0.00 0.00 35.03 32.92 3a79 n LYS 63 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 3a79 n ILE 64 N -0.44 3.66 -0.32 -0.18 2.08 -1.24 -4.04 119.36 118.88 3a79 n ILE 64 Ca 0.48 -2.36 0.18 0.00 0.56 0.00 0.00 62.75 61.61 3a79 n ILE 64 Cb 0.34 -2.50 0.43 0.00 -0.75 0.00 0.00 39.64 37.16 3a79 n ILE 64 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3a79 h THR 65 N 3.33 0.62 -3.32 1.39 1.03 -1.74 -3.25 112.91 110.96 3a79 h THR 65 Ca 0.73 -0.19 -0.54 0.00 -0.01 0.00 0.00 66.41 66.40 3a79 h THR 65 Cb 0.33 0.02 -0.35 0.00 -1.07 0.00 0.00 68.15 67.08 3a79 h THR 65 CO 1.74 0.10 -0.82 -0.47 -0.01 0.00 0.00 175.52 176.07 3a79 s TYR 66 N -5.64 1.61 -0.19 0.00 5.04 -1.26 -1.63 117.35 115.28 3a79 s TYR 66 Ca -0.10 -0.70 -0.06 0.00 -2.44 0.00 0.00 57.07 53.77 3a79 s TYR 66 Cb 0.25 -1.21 -0.03 0.00 0.35 0.00 0.00 41.96 41.32 3a79 s TYR 66 CO 0.80 -0.39 0.02 0.42 -1.34 0.00 0.00 175.55 175.05 3a79 s ILE 67 N 1.01 4.27 0.15 3.14 1.01 -1.06 -4.61 121.20 125.12 3a79 s ILE 67 Ca -0.07 -0.21 0.02 0.00 0.00 0.00 0.00 60.65 60.39 3a79 s ILE 67 Cb -0.15 -2.92 0.02 0.00 0.01 0.00 0.00 42.46 39.42 3a79 s ILE 67 CO -0.01 0.44 0.20 0.61 0.00 0.00 0.00 174.94 176.18 3a79 n GLY 68 N 3.92 2.08 0.10 6.18 0.00 -1.26 -2.03 105.19 114.17 3a79 n GLY 68 Ca -0.17 -2.16 -0.12 0.00 0.00 0.00 0.00 46.02 43.57 3a79 n GLY 68 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 3a79 h HIS 69 N 0.09 0.22 -0.01 1.61 3.86 -1.93 -3.27 115.15 115.72 3a79 h HIS 69 Ca -0.07 -0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.11 3a79 h HIS 69 Cb 0.33 -0.06 0.00 0.00 1.06 0.00 0.00 27.41 28.74 3a79 h HIS 69 CO 0.00 0.39 -0.38 0.41 0.86 0.00 0.00 177.93 179.22 3a79 n GLY 70 N -0.42 -0.48 0.48 2.45 0.00 -1.26 -4.55 105.19 101.41 3a79 n GLY 70 Ca -0.06 -0.48 0.31 0.00 0.00 0.00 0.00 46.02 45.79 3a79 n GLY 70 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3a79 h ASP 71 N 1.43 0.18 -0.87 1.61 3.45 -1.90 -2.85 116.42 117.47 3a79 h ASP 71 Ca 0.00 0.04 -0.43 0.00 0.43 0.00 0.00 57.03 57.07 3a79 h ASP 71 Cb 0.58 0.01 -0.41 0.00 -0.56 0.00 0.00 39.33 38.95 3a79 h ASP 71 CO 0.00 0.02 -0.97 0.18 -1.57 0.00 0.00 179.24 176.90 3a79 n LEU 72 N -4.37 3.13 0.01 1.55 4.77 -1.26 -4.77 117.00 116.05 3a79 n LEU 72 Ca 0.26 -4.11 -0.13 0.00 -0.03 0.00 0.00 56.01 52.00 3a79 n LEU 72 Cb 1.12 0.04 -0.14 0.00 -2.33 0.00 0.00 43.42 42.12 3a79 n LEU 72 CO 0.34 1.70 -0.50 0.03 -1.33 0.00 0.00 177.39 177.62 3a79 h ARG 73 N 2.57 0.11 0.31 3.23 2.47 -1.81 -3.40 114.38 117.86 3a79 h ARG 73 Ca 0.10 -0.19 -0.02 0.00 -1.26 0.00 0.00 59.98 58.62 3a79 h ARG 73 Cb 1.25 0.07 0.00 0.00 -1.65 0.00 0.00 29.97 29.65 3a79 h ARG 73 CO 0.55 0.82 -0.15 0.00 0.56 0.00 0.00 179.97 181.75 3a79 h ALA 74 N 0.69 -0.42 0.00 0.04 0.00 -1.82 -3.31 119.26 114.43 3a79 h ALA 74 Ca -0.29 -0.13 -0.47 0.00 0.00 0.00 0.00 54.91 54.02 3a79 h ALA 74 Cb 2.00 0.16 -0.00 0.00 0.00 0.00 0.00 17.79 19.95 3a79 h ALA 74 CO 0.10 -0.68 2.33 0.00 0.00 0.00 0.00 179.25 181.00 3a79 n ALA 76 N 3.29 2.15 -0.28 0.00 0.00 -1.25 -2.34 120.51 122.08 3a79 n ALA 76 Ca 0.62 -0.11 0.07 0.00 0.00 0.00 0.00 53.44 54.02 3a79 n ALA 76 Cb 0.43 -1.31 0.19 0.00 0.00 0.00 0.00 19.45 18.76 3a79 n ALA 76 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3a79 n ASN 77 N -1.08 3.20 -4.71 0.00 3.02 -1.26 -4.40 115.26 110.04 3a79 n ASN 77 Ca 0.13 -2.10 -0.42 0.00 -0.03 0.00 0.00 54.58 52.16 3a79 n ASN 77 Cb 0.09 -0.30 -0.03 0.00 -0.61 0.00 0.00 39.78 38.92 3a79 n ASN 77 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 3a79 s LEU 78 N -1.18 4.37 -0.04 3.41 2.96 -0.99 -4.60 118.68 122.61 3a79 s LEU 78 Ca 0.29 2.32 0.21 0.00 -0.22 0.00 0.00 54.13 56.73 3a79 s LEU 78 Cb 0.16 -3.58 -0.28 0.00 0.50 0.00 0.00 46.19 42.99 3a79 s LEU 78 CO 0.18 -0.67 0.47 0.00 -1.32 0.00 0.00 176.35 175.01 3a79 n GLN 79 N 4.12 0.66 -3.64 1.98 6.02 0.24 -2.53 117.38 124.23 3a79 n GLN 79 Ca 0.12 -0.11 -0.18 0.00 -0.01 0.00 0.00 57.00 56.82 3a79 n GLN 79 Cb 0.42 -1.56 -0.16 0.00 1.02 0.00 0.00 30.24 29.96 3a79 n GLN 79 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 3a79 s VAL 80 N -3.28 -0.24 -0.27 5.09 1.01 -0.90 -0.60 120.40 121.21 3a79 s VAL 80 Ca -0.07 0.27 0.03 0.00 0.00 0.00 0.00 61.98 62.21 3a79 s VAL 80 Cb 0.12 -0.34 0.06 0.00 0.00 0.00 0.00 36.38 36.22 3a79 s VAL 80 CO 0.88 0.08 -0.10 -0.22 0.00 0.00 0.00 175.10 175.74 3a79 s LEU 81 N 2.28 3.53 -0.39 3.92 2.96 -0.24 -0.47 118.68 130.27 3a79 s LEU 81 Ca 0.04 -1.46 -0.11 0.00 -0.22 0.00 0.00 54.13 52.38 3a79 s LEU 81 Cb -0.13 -1.55 0.04 0.00 0.50 0.00 0.00 46.19 45.06 3a79 s LEU 81 CO -0.06 -0.21 0.24 -0.63 -1.32 0.00 0.00 176.35 174.37 3a79 s ILE 82 N 1.09 4.57 -0.13 6.68 1.01 0.02 -2.22 121.20 132.22 3a79 s ILE 82 Ca -0.07 -1.00 0.18 0.00 0.00 0.00 0.00 60.65 59.76 3a79 s ILE 82 Cb -0.20 -3.62 0.29 0.00 0.01 0.00 0.00 42.46 38.94 3a79 s ILE 82 CO -0.05 -0.33 1.15 0.18 0.00 0.00 0.00 174.94 175.89 3a79 n LEU 83 N 5.00 2.33 -4.65 2.97 4.77 -0.21 -1.09 117.00 126.12 3a79 n LEU 83 Ca -0.11 -3.11 -0.45 0.00 -0.03 0.00 0.00 56.01 52.31 3a79 n LEU 83 Cb 0.45 -0.43 -0.03 0.00 -2.33 0.00 0.00 43.42 41.09 3a79 n LEU 83 CO 0.38 0.75 0.91 1.17 -1.33 0.00 0.00 177.39 179.27 3a79 n LYS 84 N -1.39 1.84 -2.66 3.23 4.81 -1.09 -3.25 118.16 119.65 3a79 n LYS 84 Ca 0.16 0.65 -0.16 0.00 -0.87 0.00 0.00 58.31 58.09 3a79 n LYS 84 Cb 0.64 -2.25 -0.00 0.00 0.02 0.00 0.00 35.03 33.44 3a79 n LYS 84 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 3a79 n SER 85 N 1.87 -4.27 -1.75 3.14 2.88 0.56 -2.42 113.62 113.63 3a79 n SER 85 Ca 0.11 0.02 0.00 0.00 -1.33 0.00 0.00 58.87 57.67 3a79 n SER 85 Cb 0.31 -3.58 0.00 0.00 -0.75 0.00 0.00 64.21 60.19 3a79 n SER 85 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 3a79 n SER 86 N -1.98 0.00 -0.15 -3.46 7.64 -1.20 -3.53 113.62 110.93 3a79 n SER 86 Ca -0.13 0.00 0.09 0.00 1.01 0.00 0.00 58.87 59.84 3a79 n SER 86 Cb 0.61 0.00 0.14 0.00 -1.01 0.00 0.00 64.21 63.94 3a79 n SER 86 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3a79 n ARG 87 N 0.00 1.23 -1.64 1.43 5.12 -0.56 -4.71 116.66 117.53 3a79 n ARG 87 Ca 0.00 -2.56 -0.42 0.00 -1.93 0.00 0.00 57.85 52.94 3a79 n ARG 87 Cb 0.00 -1.45 -0.03 0.00 -1.16 0.00 0.00 32.46 29.82 3a79 n ARG 87 CO 0.00 0.00 0.00 -0.89 -1.93 0.00 0.00 177.63 174.81 3a79 n ILE 88 N -1.32 0.65 0.06 0.55 5.41 -1.23 -4.18 119.36 119.31 3a79 n ILE 88 Ca 0.15 -0.24 0.01 0.00 1.00 0.00 0.00 62.75 63.68 3a79 n ILE 88 Cb 0.65 -2.40 -0.01 0.00 -0.71 0.00 0.00 39.64 37.17 3a79 n ILE 88 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 176.55 176.09 3a79 n ASN 89 N 8.78 1.74 -3.68 4.38 6.94 -0.65 -1.28 115.26 131.49 3a79 n ASN 89 Ca 0.23 -0.35 -0.09 0.00 -0.02 0.00 0.00 54.58 54.35 3a79 n ASN 89 Cb 0.42 1.04 -0.10 0.00 -2.36 0.00 0.00 39.78 38.78 3a79 n ASN 89 CO 0.00 0.00 0.00 0.28 -1.03 0.00 0.00 177.26 176.51 3a79 s THR 90 N -1.56 -0.27 -0.21 5.53 -1.32 -1.14 -4.54 115.64 112.13 3a79 s THR 90 Ca 0.00 0.11 0.02 0.00 -1.21 0.00 0.00 61.69 60.61 3a79 s THR 90 Cb 0.02 -0.67 0.04 0.00 -1.51 0.00 0.00 72.50 70.38 3a79 s THR 90 CO 0.09 0.05 -0.14 -0.63 -2.21 0.00 0.00 174.62 171.77 3a79 s ILE 91 N 1.89 1.96 0.47 5.08 1.01 -1.26 -2.55 121.20 127.80 3a79 s ILE 91 Ca -0.07 -1.15 -0.21 0.00 0.00 0.00 0.00 60.65 59.22 3a79 s ILE 91 Cb -0.10 -1.93 -0.11 0.00 0.01 0.00 0.00 42.46 40.34 3a79 s ILE 91 CO -0.13 0.27 0.66 -0.62 0.00 0.00 0.00 174.94 175.12 3a79 n GLU 92 N 4.59 0.74 -0.36 2.79 -0.58 -0.86 -4.83 120.64 122.12 3a79 n GLU 92 Ca -0.17 0.27 0.06 0.00 -0.42 0.00 0.00 57.16 56.91 3a79 n GLU 92 Cb 0.47 -1.71 0.23 0.00 -0.57 0.00 0.00 31.44 29.85 3a79 n GLU 92 CO 0.00 0.00 0.00 0.78 -0.48 0.00 0.00 177.13 177.43 3a79 h GLY 93 N 0.79 1.63 -3.36 0.62 0.00 -1.95 -2.35 103.07 98.45 3a79 h GLY 93 Ca -0.43 -0.44 0.00 0.00 0.00 0.00 0.00 47.33 46.46 3a79 h GLY 93 CO 0.51 0.19 0.00 2.09 0.00 0.00 0.00 176.54 179.33 3a79 n ASP 94 N -4.60 5.35 -0.23 0.19 5.75 -1.26 -3.55 116.55 118.21 3a79 n ASP 94 Ca 0.18 -2.77 0.22 0.00 -0.01 0.00 0.00 54.79 52.41 3a79 n ASP 94 Cb 0.33 -0.65 0.58 0.00 -1.03 0.00 0.00 41.12 40.34 3a79 n ASP 94 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3a79 h ALA 95 N 4.01 2.40 -0.21 2.12 0.00 -1.65 -2.58 119.26 123.35 3a79 h ALA 95 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3a79 h ALA 95 Cb 1.80 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.60 3a79 h ALA 95 CO 0.41 -0.69 0.00 1.19 0.00 0.00 0.00 179.25 180.16 3a79 n PHE 96 N -4.45 0.27 -0.13 0.00 3.72 -1.26 -4.50 117.46 111.11 3a79 n PHE 96 Ca 0.20 -0.23 0.22 0.00 -0.05 0.00 0.00 57.45 57.58 3a79 n PHE 96 Cb 0.79 -0.01 0.64 0.00 -0.94 0.00 0.00 39.48 39.97 3a79 n PHE 96 CO 0.00 0.00 0.00 1.88 -0.05 0.00 0.00 176.76 178.59 3a79 h TYR 97 N 2.66 0.17 -0.26 1.38 -1.99 -1.78 -1.92 116.97 115.24 3a79 h TYR 97 Ca 0.00 0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.74 3a79 h TYR 97 Cb 0.68 -0.05 0.00 0.00 2.00 0.00 0.00 36.73 39.36 3a79 h TYR 97 CO 0.14 0.05 0.00 -1.13 -0.00 0.00 0.00 178.16 177.22 3a79 n SER 98 N -4.38 2.82 -1.40 3.88 3.41 -1.26 -4.37 113.62 112.31 3a79 n SER 98 Ca 0.15 -1.90 -0.07 0.00 -0.26 0.00 0.00 58.87 56.79 3a79 n SER 98 Cb 0.73 -0.16 0.09 0.00 -0.26 0.00 0.00 64.21 64.61 3a79 n SER 98 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3a79 n LEU 99 N 1.10 4.16 0.00 1.04 4.77 -0.72 -4.52 117.00 122.82 3a79 n LEU 99 Ca 0.18 -2.16 0.00 0.00 -0.03 0.00 0.00 56.01 54.00 3a79 n LEU 99 Cb 0.52 -0.62 0.00 0.00 -2.33 0.00 0.00 43.42 40.99 3a79 n LEU 99 CO 0.15 0.65 0.11 0.61 -1.33 0.00 0.00 177.39 177.58 3a79 n GLY 100 N -0.07 0.00 0.12 -0.72 0.00 -1.26 0.18 105.19 103.44 3a79 n GLY 100 Ca 0.21 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.25 3a79 n GLY 100 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3a79 n SER 101 N -0.66 1.08 -4.70 1.61 7.64 -1.26 -4.31 113.62 113.02 3a79 n SER 101 Ca 0.00 -1.04 -0.42 0.00 1.01 0.00 0.00 58.87 58.42 3a79 n SER 101 Cb 0.00 0.19 -0.03 0.00 -1.01 0.00 0.00 64.21 63.36 3a79 n SER 101 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 3a79 s LEU 102 N -0.66 4.34 -0.01 -3.43 2.96 0.13 -4.51 118.68 117.50 3a79 s LEU 102 Ca 0.04 2.21 0.04 0.00 -0.22 0.00 0.00 54.13 56.20 3a79 s LEU 102 Cb 0.03 -3.57 -0.06 0.00 0.50 0.00 0.00 46.19 43.09 3a79 s LEU 102 CO 0.06 -0.69 0.07 -1.84 -1.32 0.00 0.00 176.35 172.64 3a79 n GLU 103 N 4.76 0.81 -4.04 1.98 0.28 0.23 -2.45 120.64 122.21 3a79 n GLU 103 Ca 0.12 -0.03 -0.33 0.00 -0.16 0.00 0.00 57.16 56.76 3a79 n GLU 103 Cb 0.43 -1.10 -0.15 0.00 1.43 0.00 0.00 31.44 32.06 3a79 n GLU 103 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 177.13 175.39 3a79 s HIS 104 N -2.24 3.12 -0.14 -1.84 2.46 -0.30 0.63 115.29 116.98 3a79 s HIS 104 Ca -0.02 -1.98 0.00 0.00 0.47 0.00 0.00 55.06 53.53 3a79 s HIS 104 Cb 0.02 -1.97 0.02 0.00 -0.13 0.00 0.00 32.58 30.53 3a79 s HIS 104 CO 0.16 -0.83 -0.11 -1.17 -2.47 0.00 0.00 174.74 170.32 3a79 s LEU 105 N 1.20 1.50 -0.32 8.88 2.96 0.34 -1.08 118.68 132.16 3a79 s LEU 105 Ca -0.04 -0.43 0.03 0.00 -0.22 0.00 0.00 54.13 53.47 3a79 s LEU 105 Cb -0.18 -1.04 0.09 0.00 0.50 0.00 0.00 46.19 45.56 3a79 s LEU 105 CO -0.06 -0.09 0.04 -0.62 -1.32 0.00 0.00 176.35 174.30 3a79 s ASP 106 N 1.57 4.56 -0.06 3.68 2.15 -0.94 -1.60 116.67 126.03 3a79 s ASP 106 Ca 0.05 -1.95 0.14 0.00 0.43 0.00 0.00 52.55 51.22 3a79 s ASP 106 Cb -0.13 -1.46 0.45 0.00 -0.30 0.00 0.00 42.92 41.48 3a79 s ASP 106 CO -0.10 -0.36 1.37 0.18 -0.17 0.00 0.00 175.17 176.10 3a79 n LEU 107 N 4.40 3.52 -4.62 -1.34 4.77 -0.21 -1.05 117.00 122.47 3a79 n LEU 107 Ca 0.01 -2.30 -0.38 0.00 -0.03 0.00 0.00 56.01 53.30 3a79 n LEU 107 Cb 0.42 -0.38 0.05 0.00 -2.33 0.00 0.00 43.42 41.18 3a79 n LEU 107 CO 0.20 0.75 0.57 -1.54 -1.33 0.00 0.00 177.39 176.04 3a79 n SER 108 N 0.47 0.94 -1.81 -1.43 3.41 -0.71 -3.93 113.62 110.56 3a79 n SER 108 Ca 0.17 0.85 -0.11 0.00 -0.26 0.00 0.00 58.87 59.52 3a79 n SER 108 Cb 0.62 -1.39 0.03 0.00 -0.26 0.00 0.00 64.21 63.21 3a79 n SER 108 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3a79 n ASP 109 N -0.56 -3.95 -3.32 4.04 8.00 -0.03 -0.32 116.55 120.40 3a79 n ASP 109 Ca 0.13 -0.21 -0.15 0.00 0.71 0.00 0.00 54.79 55.26 3a79 n ASP 109 Cb 0.46 -2.65 -0.03 0.00 -0.02 0.00 0.00 41.12 38.88 3a79 n ASP 109 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3a79 n ASN 110 N -0.51 2.53 -2.29 -2.24 4.13 -1.21 -3.72 115.26 111.96 3a79 n ASN 110 Ca -0.02 -2.05 -0.33 0.00 1.68 0.00 0.00 54.58 53.86 3a79 n ASN 110 Cb 0.54 0.14 0.07 0.00 -1.54 0.00 0.00 39.78 38.98 3a79 n ASN 110 CO 0.00 0.00 0.00 1.41 0.28 0.00 0.00 177.26 178.95 3a79 n HIS 111 N -0.71 3.14 -1.97 3.10 8.25 -0.41 -4.04 115.22 122.57 3a79 n HIS 111 Ca -0.09 -2.87 -0.32 0.00 -0.26 0.00 0.00 57.72 54.19 3a79 n HIS 111 Cb 0.31 -1.23 -0.04 0.00 1.12 0.00 0.00 29.99 30.15 3a79 n HIS 111 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3a79 s LEU 112 N -3.79 3.23 0.41 2.41 1.02 -1.20 -4.48 118.68 116.27 3a79 s LEU 112 Ca 0.62 0.01 0.29 0.00 0.02 0.00 0.00 54.13 55.07 3a79 s LEU 112 Cb 0.49 -2.54 1.29 0.00 0.02 0.00 0.00 46.19 45.45 3a79 s LEU 112 CO -0.01 -2.65 1.86 0.28 0.02 0.00 0.00 176.35 175.85 3a79 h SER 113 N 13.89 0.00 -4.59 2.29 0.02 -1.84 -3.21 113.55 120.10 3a79 h SER 113 Ca -0.11 0.00 0.21 0.00 -0.84 0.00 0.00 61.79 61.05 3a79 h SER 113 Cb 1.10 0.00 -0.16 0.00 0.14 0.00 0.00 62.40 63.48 3a79 h SER 113 CO 1.20 0.00 0.69 -0.94 -1.14 0.00 0.00 176.83 176.63 3a79 s SER 114 N -4.77 -0.21 0.15 3.07 1.04 -1.26 -4.01 113.70 107.71 3a79 s SER 114 Ca 0.01 -0.04 0.07 0.00 0.48 0.00 0.00 55.95 56.48 3a79 s SER 114 Cb 0.09 0.25 -0.04 0.00 0.10 0.00 0.00 66.02 66.42 3a79 s SER 114 CO 0.41 -0.41 -0.05 -0.76 0.98 0.00 0.00 173.24 173.41 3a79 s LEU 115 N -2.41 3.16 -0.08 2.42 1.43 -1.26 -5.04 118.68 116.91 3a79 s LEU 115 Ca 0.09 -0.42 0.02 0.00 -1.03 0.00 0.00 54.13 52.79 3a79 s LEU 115 Cb -0.00 -1.87 -0.02 0.00 0.03 0.00 0.00 46.19 44.32 3a79 s LEU 115 CO -0.06 0.13 -0.14 -0.55 0.23 0.00 0.00 176.35 175.96 3a79 s SER 116 N -2.63 4.02 0.34 2.29 0.15 -1.26 -4.78 113.70 111.82 3a79 s SER 116 Ca 0.25 -0.25 0.26 0.00 0.70 0.00 0.00 55.95 56.91 3a79 s SER 116 Cb -0.10 -1.14 1.16 0.00 -1.71 0.00 0.00 66.02 64.24 3a79 s SER 116 CO 0.16 0.28 1.78 0.77 1.20 0.00 0.00 173.24 177.42 3a79 h SER 117 N 5.86 0.00 1.38 5.45 4.64 -1.89 -3.06 113.55 125.93 3a79 h SER 117 Ca -0.38 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 60.82 3a79 h SER 117 Cb 1.18 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.25 3a79 h SER 117 CO 0.52 0.00 -0.63 0.28 -0.87 0.00 0.00 176.83 176.13 3a79 h SER 118 N 0.00 0.00 -0.06 4.97 0.02 -1.94 -3.34 113.55 113.20 3a79 h SER 118 Ca 0.00 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.91 3a79 h SER 118 Cb 0.28 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.81 3a79 h SER 118 CO 0.00 0.55 -0.05 -0.50 -1.14 0.00 0.00 176.83 175.69 3a79 h TRP 119 N 0.00 0.28 0.00 3.45 6.55 -1.58 -3.28 115.95 121.37 3a79 h TRP 119 Ca -0.02 -0.02 0.00 0.00 0.95 0.00 0.00 58.89 59.80 3a79 h TRP 119 Cb 1.44 -0.08 0.00 0.00 -0.86 0.00 0.00 29.16 29.65 3a79 h TRP 119 CO 0.00 0.33 -0.68 1.19 -1.05 0.00 0.00 178.44 178.24 3a79 n PHE 120 N -4.33 0.00 -0.03 0.49 3.72 -1.25 -4.66 117.46 111.39 3a79 n PHE 120 Ca -0.00 0.00 -0.09 0.00 -0.05 0.00 0.00 57.45 57.31 3a79 n PHE 120 Cb 0.22 -0.01 -0.03 0.00 -0.94 0.00 0.00 39.48 38.71 3a79 n PHE 120 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 3a79 h GLY 121 N 3.20 0.15 2.00 1.37 0.00 -1.69 -2.63 103.07 105.47 3a79 h GLY 121 Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 47.33 47.36 3a79 h GLY 121 CO 0.00 -0.04 0.00 -1.55 0.00 0.00 0.00 176.54 174.95 3a79 n PRO 122 N -5.15 0.09 -1.14 4.80 -0.04 -1.26 -4.22 135.00 128.08 3a79 n PRO 122 Ca -0.03 0.21 -0.18 0.00 -0.04 0.00 0.00 63.50 63.46 3a79 n PRO 122 Cb 0.10 -1.64 -0.06 0.00 -0.04 0.00 0.00 33.50 31.87 3a79 n PRO 122 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3a79 n LEU 123 N -1.80 6.07 0.00 1.53 4.77 -0.99 -4.54 117.00 122.05 3a79 n LEU 123 Ca 0.05 -3.52 0.00 0.00 -0.03 0.00 0.00 56.01 52.51 3a79 n LEU 123 Cb 0.28 -1.23 0.00 0.00 -2.33 0.00 0.00 43.42 40.14 3a79 n LEU 123 CO 0.22 1.54 0.41 -1.54 -1.33 0.00 0.00 177.39 176.69 3a79 n SER 124 N 1.20 0.00 -0.87 -1.43 3.41 -1.26 -0.74 113.62 113.92 3a79 n SER 124 Ca 0.38 0.20 0.11 0.00 -0.26 0.00 0.00 58.87 59.31 3a79 n SER 124 Cb 0.64 -0.20 0.09 0.00 -0.26 0.00 0.00 64.21 64.47 3a79 n SER 124 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 3a79 n SER 125 N -1.15 2.81 -4.71 4.04 7.64 -1.26 -4.49 113.62 116.51 3a79 n SER 125 Ca 0.00 -1.91 -0.42 0.00 1.01 0.00 0.00 58.87 57.55 3a79 n SER 125 Cb 0.18 0.05 -0.03 0.00 -1.01 0.00 0.00 64.21 63.39 3a79 n SER 125 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 3a79 s LEU 126 N -1.95 4.35 -0.13 -3.43 2.96 0.08 -4.13 118.68 116.42 3a79 s LEU 126 Ca 0.26 2.21 0.11 0.00 -0.22 0.00 0.00 54.13 56.50 3a79 s LEU 126 Cb 0.19 -3.58 -0.16 0.00 0.50 0.00 0.00 46.19 43.14 3a79 s LEU 126 CO 0.31 -0.66 0.04 0.29 -1.32 0.00 0.00 176.35 175.01 3a79 n LYS 127 N 4.48 1.77 -4.13 1.98 5.02 0.20 -2.86 118.16 124.62 3a79 n LYS 127 Ca 0.12 -0.00 -0.20 0.00 -2.02 0.00 0.00 58.31 56.20 3a79 n LYS 127 Cb 0.43 -1.34 -0.16 0.00 -0.02 0.00 0.00 35.03 33.94 3a79 n LYS 127 CO 0.00 0.00 0.00 -0.47 -0.52 0.00 0.00 177.40 176.41 3a79 s TYR 128 N -2.32 0.77 -0.25 2.13 5.04 0.58 -0.60 117.35 122.69 3a79 s TYR 128 Ca -0.07 -0.22 -0.03 0.00 -2.44 0.00 0.00 57.07 54.31 3a79 s TYR 128 Cb 0.04 -0.70 0.11 0.00 0.35 0.00 0.00 41.96 41.76 3a79 s TYR 128 CO 0.54 -0.21 0.21 -1.17 -1.34 0.00 0.00 175.55 173.58 3a79 s LEU 129 N 1.02 0.08 -0.37 6.97 2.96 -0.79 -0.50 118.68 128.04 3a79 s LEU 129 Ca -0.09 -0.75 -0.11 0.00 -0.22 0.00 0.00 54.13 52.95 3a79 s LEU 129 Cb -0.14 0.15 0.02 0.00 0.50 0.00 0.00 46.19 46.72 3a79 s LEU 129 CO -0.00 -0.38 0.21 0.21 -1.32 0.00 0.00 176.35 175.07 3a79 s ASN 130 N 2.25 5.77 0.00 3.68 2.47 -0.63 -2.42 114.94 126.07 3a79 s ASN 130 Ca 0.08 -0.92 0.13 0.00 0.42 0.00 0.00 52.86 52.56 3a79 s ASN 130 Cb -0.15 -2.04 0.01 0.00 -1.45 0.00 0.00 41.25 37.61 3a79 s ASN 130 CO -0.26 -0.37 0.74 0.18 -3.72 0.00 0.00 177.10 173.67 3a79 n LEU 131 N 5.02 1.46 -4.59 3.21 4.77 0.15 -1.04 117.00 125.98 3a79 n LEU 131 Ca -0.12 -0.79 -0.35 0.00 -0.03 0.00 0.00 56.01 54.72 3a79 n LEU 131 Cb 0.47 0.00 0.09 0.00 -2.33 0.00 0.00 43.42 41.65 3a79 n LEU 131 CO 0.37 0.28 0.46 0.23 -1.33 0.00 0.00 177.39 177.40 3a79 n MET 132 N -0.10 0.38 -0.11 3.23 2.81 -0.91 -3.93 117.12 118.50 3a79 n MET 132 Ca 0.05 0.19 0.00 0.00 -1.81 0.00 0.00 57.70 56.13 3a79 n MET 132 Cb 0.27 -2.17 0.00 0.00 -0.71 0.00 0.00 33.22 30.61 3a79 n MET 132 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3a79 n GLY 133 N 1.12 0.80 3.41 3.03 0.00 -1.05 -0.85 105.19 111.64 3a79 n GLY 133 Ca 0.12 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.82 3a79 n GLY 133 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3a79 s ASN 134 N -2.38 3.91 0.00 1.61 -0.87 -1.25 -3.30 114.94 112.66 3a79 s ASN 134 Ca 0.00 -0.28 0.00 0.00 -1.57 0.00 0.00 52.86 51.01 3a79 s ASN 134 Cb 0.00 -1.15 0.00 0.00 -0.02 0.00 0.00 41.25 40.08 3a79 s ASN 134 CO 0.00 0.26 0.34 -2.65 -2.57 0.00 0.00 177.10 172.48 3a79 n PRO 135 N 2.86 0.31 -2.88 -0.60 -0.02 -1.24 -4.74 135.00 128.68 3a79 n PRO 135 Ca -0.18 0.00 -0.35 0.00 -2.02 0.00 0.00 63.50 60.96 3a79 n PRO 135 Cb 0.52 -1.35 -0.07 0.00 -0.02 0.00 0.00 33.50 32.59 3a79 n PRO 135 CO 0.00 0.00 0.00 1.52 1.98 0.00 0.00 175.50 179.00 3a79 s TYR 136 N 0.76 3.48 0.01 6.00 -0.85 -1.21 -4.72 117.35 120.83 3a79 s TYR 136 Ca 0.00 1.59 0.09 0.00 -0.52 0.00 0.00 57.07 58.23 3a79 s TYR 136 Cb 0.00 -2.80 -0.23 0.00 0.38 0.00 0.00 41.96 39.31 3a79 s TYR 136 CO 0.00 0.08 0.88 0.37 -1.52 0.00 0.00 175.55 175.36 3a79 h GLN 137 N 2.55 0.02 0.00 -3.49 4.15 -1.76 -3.25 115.11 113.33 3a79 h GLN 137 Ca -0.48 -0.04 -0.16 0.00 0.77 0.00 0.00 58.65 58.74 3a79 h GLN 137 Cb 1.18 0.02 -0.04 0.00 0.21 0.00 0.00 27.48 28.85 3a79 h GLN 137 CO 0.63 0.73 -0.11 0.25 -1.93 0.00 0.00 178.83 178.40 3a79 n THR 138 N -3.19 0.00 -0.22 2.39 -2.24 -1.26 -1.06 114.28 108.70 3a79 n THR 138 Ca -0.11 -0.94 -0.05 0.00 -2.27 0.00 0.00 64.05 60.68 3a79 n THR 138 Cb 1.01 0.54 0.18 0.00 -2.10 0.00 0.00 70.33 69.96 3a79 n THR 138 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3a79 n LEU 139 N 0.00 4.49 -0.38 3.22 4.77 -1.26 -4.78 117.00 123.07 3a79 n LEU 139 Ca 0.01 -2.33 0.05 0.00 -0.03 0.00 0.00 56.01 53.72 3a79 n LEU 139 Cb 0.28 -0.65 -0.02 0.00 -2.33 0.00 0.00 43.42 40.70 3a79 n LEU 139 CO 0.14 0.64 -0.11 0.61 -1.33 0.00 0.00 177.39 177.34 3a79 n GLY 140 N -0.03 -2.00 0.42 -0.72 0.00 -1.26 -4.61 105.19 96.98 3a79 n GLY 140 Ca 0.26 -1.40 0.12 0.00 0.00 0.00 0.00 46.02 44.99 3a79 n GLY 140 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3a79 n VAL 141 N -2.77 0.11 -4.60 1.61 0.24 -1.26 -4.77 118.33 106.88 3a79 n VAL 141 Ca -0.01 -0.25 -0.22 0.00 -2.04 0.00 0.00 64.34 61.82 3a79 n VAL 141 Cb 0.18 0.25 -0.15 0.00 -1.47 0.00 0.00 33.84 32.65 3a79 n VAL 141 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 3a79 s THR 142 N -1.89 1.06 0.22 3.34 2.01 -1.26 -5.11 115.64 114.01 3a79 s THR 142 Ca 0.34 -0.56 -0.32 0.00 0.31 0.00 0.00 61.69 61.47 3a79 s THR 142 Cb 0.18 -0.89 -0.14 0.00 0.01 0.00 0.00 72.50 71.66 3a79 s THR 142 CO 0.28 0.30 1.39 -1.20 -0.69 0.00 0.00 174.62 174.70 3a79 n SER 143 N 2.87 2.59 -0.01 3.53 7.64 -1.26 -4.80 113.62 124.19 3a79 n SER 143 Ca -0.15 1.14 -0.09 0.00 1.01 0.00 0.00 58.87 60.78 3a79 n SER 143 Cb 0.55 -1.40 -0.14 0.00 -1.01 0.00 0.00 64.21 62.21 3a79 n SER 143 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 3a79 h LEU 144 N 4.22 0.02 -3.05 -3.43 3.38 -1.86 -3.42 115.31 111.18 3a79 h LEU 144 Ca -0.45 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.48 3a79 h LEU 144 Cb 1.28 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 42.03 3a79 h LEU 144 CO 0.76 1.04 0.00 0.49 0.09 0.00 0.00 178.44 180.82 3a79 n PHE 145 N -3.12 0.61 0.19 1.13 3.72 -1.26 -4.75 117.46 113.98 3a79 n PHE 145 Ca -0.15 -0.68 0.03 0.00 -0.05 0.00 0.00 57.45 56.61 3a79 n PHE 145 Cb 1.03 -0.15 0.37 0.00 -0.94 0.00 0.00 39.48 39.80 3a79 n PHE 145 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 3a79 h PRO 146 N 1.70 0.01 -1.78 -1.08 0.11 -1.81 -3.05 132.00 126.10 3a79 h PRO 146 Ca 0.00 -0.00 -0.71 0.00 0.11 0.00 0.00 66.00 65.39 3a79 h PRO 146 Cb 1.02 -0.00 -0.31 0.00 0.11 0.00 0.00 31.00 31.82 3a79 h PRO 146 CO 0.09 0.35 0.58 0.09 -0.21 0.00 0.00 178.00 178.90 3a79 n ASN 147 N -4.13 6.81 -2.82 -2.05 5.03 -1.26 -4.67 115.26 112.17 3a79 n ASN 147 Ca -0.02 -3.81 -0.20 0.00 0.87 0.00 0.00 54.58 51.42 3a79 n ASN 147 Cb 0.39 -0.90 -0.01 0.00 -1.02 0.00 0.00 39.78 38.24 3a79 n ASN 147 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 3a79 n LEU 148 N -0.56 2.88 0.07 3.41 4.32 -1.15 -4.59 117.00 121.38 3a79 n LEU 148 Ca 0.51 -4.91 0.03 0.00 -0.02 0.00 0.00 56.01 51.61 3a79 n LEU 148 Cb 0.38 0.03 0.14 0.00 -1.62 0.00 0.00 43.42 42.35 3a79 n LEU 148 CO 0.49 2.11 0.63 0.35 -1.22 0.00 0.00 177.39 179.75 3a79 n THR 149 N -0.13 0.83 0.02 -5.08 -2.24 -1.26 -0.83 114.28 105.59 3a79 n THR 149 Ca 0.26 0.61 0.07 0.00 -2.27 0.00 0.00 64.05 62.72 3a79 n THR 149 Cb 0.63 -1.61 0.16 0.00 -2.10 0.00 0.00 70.33 67.41 3a79 n THR 149 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3a79 n ASN 150 N -1.60 2.89 -4.74 3.42 3.02 -1.26 -5.02 115.26 111.98 3a79 n ASN 150 Ca -0.00 -1.88 -0.41 0.00 -0.03 0.00 0.00 54.58 52.26 3a79 n ASN 150 Cb 0.29 -0.21 -0.03 0.00 -0.61 0.00 0.00 39.78 39.22 3a79 n ASN 150 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 3a79 s LEU 151 N -1.06 4.44 0.00 3.41 2.96 -0.01 -4.14 118.68 124.29 3a79 s LEU 151 Ca 0.26 2.24 0.00 0.00 -0.22 0.00 0.00 54.13 56.41 3a79 s LEU 151 Cb 0.14 -3.61 0.00 0.00 0.50 0.00 0.00 46.19 43.23 3a79 s LEU 151 CO 0.20 -0.38 0.00 0.00 -1.32 0.00 0.00 176.35 174.84 3a79 n GLN 152 N 2.55 2.01 -3.49 1.98 6.02 0.23 -4.70 117.38 121.98 3a79 n GLN 152 Ca 0.05 0.00 -0.20 0.00 -0.01 0.00 0.00 57.00 56.84 3a79 n GLN 152 Cb 0.45 -0.83 -0.13 0.00 1.02 0.00 0.00 30.24 30.74 3a79 n GLN 152 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 3a79 s THR 153 N -1.33 -0.30 -0.12 5.09 2.01 -0.69 0.07 115.64 120.37 3a79 s THR 153 Ca 0.00 -0.21 -0.02 0.00 0.31 0.00 0.00 61.69 61.77 3a79 s THR 153 Cb 0.00 -0.73 -0.03 0.00 0.01 0.00 0.00 72.50 71.76 3a79 s THR 153 CO 0.00 -0.28 -0.05 -0.22 -0.69 0.00 0.00 174.62 173.38 3a79 s LEU 154 N 2.30 3.19 -0.21 4.42 2.96 -0.56 -1.89 118.68 128.89 3a79 s LEU 154 Ca 0.07 -0.10 -0.02 0.00 -0.22 0.00 0.00 54.13 53.86 3a79 s LEU 154 Cb -0.16 -1.74 0.06 0.00 0.50 0.00 0.00 46.19 44.85 3a79 s LEU 154 CO -0.16 0.23 0.01 -0.13 -1.32 0.00 0.00 176.35 174.99 3a79 s ARG 155 N -0.03 0.90 0.44 1.98 0.52 -1.02 -0.83 118.95 120.92 3a79 s ARG 155 Ca 0.01 -0.58 0.03 0.00 -0.52 0.00 0.00 55.73 54.66 3a79 s ARG 155 Cb -0.13 -2.24 -0.02 0.00 0.52 0.00 0.00 34.95 33.08 3a79 s ARG 155 CO 0.03 -0.64 0.07 0.96 0.02 0.00 0.00 175.30 175.75 3a79 s ILE 156 N 1.73 0.89 0.00 1.52 -4.36 -0.75 0.33 121.20 120.56 3a79 s ILE 156 Ca -0.02 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.37 3a79 s ILE 156 Cb -0.18 -2.32 0.00 0.00 1.25 0.00 0.00 42.46 41.21 3a79 s ILE 156 CO -0.08 0.00 0.00 0.61 0.24 0.00 0.00 174.94 175.71 3a79 n GLY 157 N -1.04 0.57 3.79 6.27 0.00 -1.26 -1.39 105.19 112.13 3a79 n GLY 157 Ca -0.11 -1.96 -0.08 0.00 0.00 0.00 0.00 46.02 43.87 3a79 n GLY 157 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3a79 s ASN 158 N -0.59 -0.09 0.03 1.61 2.20 0.11 -2.53 114.94 115.67 3a79 s ASN 158 Ca 0.00 -0.86 -0.19 0.00 -0.94 0.00 0.00 52.86 50.87 3a79 s ASN 158 Cb 0.00 0.74 -0.20 0.00 -2.00 0.00 0.00 41.25 39.80 3a79 s ASN 158 CO 0.00 -1.42 1.19 0.58 -2.94 0.00 0.00 177.10 174.51 3a79 h VAL 159 N 2.04 1.39 -0.00 3.54 2.07 -1.95 -3.33 116.25 120.00 3a79 h VAL 159 Ca -0.24 -1.87 0.00 0.00 0.82 0.00 0.00 66.70 65.41 3a79 h VAL 159 Cb 1.25 2.31 0.00 0.00 -1.52 0.00 0.00 31.29 33.33 3a79 h VAL 159 CO 0.31 0.55 -0.14 -0.62 0.02 0.00 0.00 177.57 177.69 3a79 n GLU 160 N -4.26 2.42 0.00 1.57 1.02 -1.26 -3.95 120.64 116.18 3a79 n GLU 160 Ca -0.09 -0.47 0.00 0.00 -0.02 0.00 0.00 57.16 56.59 3a79 n GLU 160 Cb 0.60 -0.96 0.00 0.00 -0.02 0.00 0.00 31.44 31.06 3a79 n GLU 160 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 3a79 n THR 161 N -0.36 0.00 -1.94 2.62 -2.24 -1.26 -4.95 114.28 106.15 3a79 n THR 161 Ca 0.03 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.38 3a79 n THR 161 Cb 0.14 0.01 -0.03 0.00 -2.10 0.00 0.00 70.33 68.35 3a79 n THR 161 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 3a79 s PHE 162 N -0.33 1.73 0.00 4.78 5.36 -1.23 -4.33 117.98 123.96 3a79 s PHE 162 Ca 0.00 0.55 0.00 0.00 -0.96 0.00 0.00 56.93 56.52 3a79 s PHE 162 Cb 0.00 -4.07 0.00 0.00 -0.34 0.00 0.00 43.02 38.61 3a79 s PHE 162 CO 0.00 -3.26 0.00 -1.13 -1.46 0.00 0.00 175.22 169.37 3a79 n SER 163 N 10.06 4.26 -4.41 6.13 3.41 -0.23 -3.43 113.62 129.42 3a79 n SER 163 Ca 0.23 0.00 -0.27 0.00 -0.26 0.00 0.00 58.87 58.57 3a79 n SER 163 Cb 0.46 0.70 -0.12 0.00 -0.26 0.00 0.00 64.21 64.98 3a79 n SER 163 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 3a79 s GLU 164 N -1.76 1.47 -0.18 4.33 2.02 -1.19 -0.12 118.70 123.27 3a79 s GLU 164 Ca 0.00 -1.47 -0.04 0.00 0.02 0.00 0.00 54.97 53.48 3a79 s GLU 164 Cb 0.00 -1.84 0.06 0.00 0.10 0.00 0.00 34.13 32.45 3a79 s GLU 164 CO 0.00 0.41 0.06 0.42 0.02 0.00 0.00 175.26 176.17 3a79 s ILE 165 N -1.51 0.27 0.37 -1.63 1.01 -0.85 -4.73 121.20 114.13 3a79 s ILE 165 Ca 0.19 -0.40 0.07 0.00 0.00 0.00 0.00 60.65 60.51 3a79 s ILE 165 Cb -0.08 -0.84 -0.02 0.00 0.01 0.00 0.00 42.46 41.52 3a79 s ILE 165 CO 0.09 -0.24 0.38 -0.13 0.00 0.00 0.00 174.94 175.04 3a79 s ARG 166 N 1.97 2.74 0.48 2.79 3.00 -1.26 -1.29 118.95 127.38 3a79 s ARG 166 Ca 0.00 -1.32 0.27 0.00 0.00 0.00 0.00 55.73 54.68 3a79 s ARG 166 Cb -0.17 -2.53 1.14 0.00 0.00 0.00 0.00 34.95 33.39 3a79 s ARG 166 CO -0.08 -0.04 1.92 -0.09 0.00 0.00 0.00 175.30 177.00 3a79 h ARG 167 N 1.05 0.00 -0.12 3.54 2.43 -1.88 -2.65 114.38 116.75 3a79 h ARG 167 Ca -0.43 0.00 -0.16 0.00 -0.81 0.00 0.00 59.98 58.57 3a79 h ARG 167 Cb 1.26 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.80 3a79 h ARG 167 CO 0.56 0.16 -0.61 -0.84 -1.51 0.00 0.00 179.97 177.72 3a79 h ILE 168 N 0.00 1.35 -1.25 1.20 3.07 -1.95 -3.37 117.51 116.56 3a79 h ILE 168 Ca -0.00 -1.93 0.36 0.00 1.55 0.00 0.00 64.86 64.84 3a79 h ILE 168 Cb 0.61 1.92 -0.08 0.00 -0.27 0.00 0.00 36.82 38.99 3a79 h ILE 168 CO 0.02 0.59 0.85 0.44 -1.05 0.00 0.00 178.15 179.00 3a79 h ASP 169 N 0.32 0.20 -0.25 2.16 3.32 -1.84 -0.87 116.42 119.47 3a79 h ASP 169 Ca -0.01 0.06 -0.18 0.00 0.02 0.00 0.00 57.03 56.92 3a79 h ASP 169 Cb 1.15 0.03 -0.15 0.00 0.22 0.00 0.00 39.33 40.59 3a79 h ASP 169 CO 0.11 -0.02 -0.61 0.49 -1.72 0.00 0.00 179.24 177.49 3a79 n PHE 170 N -4.42 0.90 -2.59 4.55 3.72 -1.26 -4.53 117.46 113.83 3a79 n PHE 170 Ca 0.30 -1.73 -0.40 0.00 -0.05 0.00 0.00 57.45 55.57 3a79 n PHE 170 Cb 1.25 -0.28 -0.05 0.00 -0.94 0.00 0.00 39.48 39.46 3a79 n PHE 170 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3a79 s ALA 171 N -3.32 3.38 0.00 4.37 0.00 -0.33 -3.14 121.76 122.71 3a79 s ALA 171 Ca 0.42 0.79 0.00 0.00 0.00 0.00 0.00 51.96 53.17 3a79 s ALA 171 Cb 0.38 -3.28 0.00 0.00 0.00 0.00 0.00 23.12 20.22 3a79 s ALA 171 CO -0.04 -0.01 0.00 0.41 0.00 0.00 0.00 175.76 176.13 3a79 n GLY 172 N 1.31 1.29 3.66 0.00 0.00 -1.26 -3.49 105.19 106.71 3a79 n GLY 172 Ca -0.01 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.62 3a79 n GLY 172 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3a79 s LEU 173 N 0.00 4.14 -0.09 0.99 1.43 -1.19 -4.79 118.68 119.18 3a79 s LEU 173 Ca 0.00 0.47 0.04 0.00 -1.03 0.00 0.00 54.13 53.61 3a79 s LEU 173 Cb 0.00 -2.48 -0.08 0.00 0.03 0.00 0.00 46.19 43.66 3a79 s LEU 173 CO 0.00 -0.08 -0.02 0.35 0.23 0.00 0.00 176.35 176.83 3a79 n THR 174 N 4.40 0.55 -3.94 5.49 -2.24 -1.26 -4.22 114.28 113.06 3a79 n THR 174 Ca -0.09 -0.29 -0.10 0.00 -2.27 0.00 0.00 64.05 61.31 3a79 n THR 174 Cb 0.51 -0.82 -0.11 0.00 -2.10 0.00 0.00 70.33 67.81 3a79 n THR 174 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3a79 s SER 175 N -4.38 0.16 -0.09 3.42 0.15 -1.26 -1.48 113.70 110.21 3a79 s SER 175 Ca -0.08 -0.37 -0.18 0.00 0.70 0.00 0.00 55.95 56.02 3a79 s SER 175 Cb 0.03 0.13 0.04 0.00 -1.71 0.00 0.00 66.02 64.50 3a79 s SER 175 CO 0.29 -0.29 0.44 -0.76 1.20 0.00 0.00 173.24 174.11 3a79 s LEU 176 N -1.31 0.33 -0.13 3.45 1.43 -0.74 -4.78 118.68 116.93 3a79 s LEU 176 Ca -0.14 0.57 -0.26 0.00 -1.03 0.00 0.00 54.13 53.26 3a79 s LEU 176 Cb -0.09 1.62 -0.26 0.00 0.03 0.00 0.00 46.19 47.49 3a79 s LEU 176 CO -0.00 -0.35 0.72 0.78 0.23 0.00 0.00 176.35 177.73 3a79 h ASN 177 N 4.41 0.12 -3.22 2.29 -0.26 -0.68 -1.00 115.58 117.24 3a79 h ASN 177 Ca -0.28 -0.93 -0.48 0.00 -0.56 0.00 0.00 56.30 54.05 3a79 h ASN 177 Cb 1.17 -0.04 -0.37 0.00 -1.06 0.00 0.00 38.32 38.02 3a79 h ASN 177 CO 0.32 1.18 -0.78 -1.61 -1.06 0.00 0.00 177.43 175.47 3a79 s GLU 178 N -2.30 1.05 -0.08 0.81 2.02 -0.76 -1.01 118.70 118.43 3a79 s GLU 178 Ca -0.19 -0.07 0.03 0.00 0.02 0.00 0.00 54.97 54.76 3a79 s GLU 178 Cb -0.01 -1.26 -0.02 0.00 0.10 0.00 0.00 34.13 32.94 3a79 s GLU 178 CO 0.71 -0.28 -0.17 -1.17 0.02 0.00 0.00 175.26 174.37 3a79 s LEU 179 N 1.83 2.51 -0.33 1.80 2.96 -0.56 -1.49 118.68 125.40 3a79 s LEU 179 Ca 0.05 -0.35 -0.01 0.00 -0.22 0.00 0.00 54.13 53.60 3a79 s LEU 179 Cb -0.12 -1.52 0.11 0.00 0.50 0.00 0.00 46.19 45.16 3a79 s LEU 179 CO -0.07 0.24 0.14 -0.70 -1.32 0.00 0.00 176.35 174.65 3a79 s GLU 180 N -0.13 0.66 -0.40 1.98 2.12 -0.01 -0.93 118.70 121.98 3a79 s GLU 180 Ca -0.02 -1.12 -0.20 0.00 0.36 0.00 0.00 54.97 53.99 3a79 s GLU 180 Cb -0.14 -1.77 0.01 0.00 0.26 0.00 0.00 34.13 32.50 3a79 s GLU 180 CO 0.04 -1.05 0.62 0.42 -0.54 0.00 0.00 175.26 174.75 3a79 s ILE 181 N 1.48 4.87 -0.82 -3.70 1.01 -0.57 -1.80 121.20 121.67 3a79 s ILE 181 Ca 0.12 0.27 -0.16 0.00 0.00 0.00 0.00 60.65 60.88 3a79 s ILE 181 Cb -0.19 -4.14 0.18 0.00 0.01 0.00 0.00 42.46 38.33 3a79 s ILE 181 CO -0.21 -0.47 0.84 -0.75 0.00 0.00 0.00 174.94 174.35 3a79 s LYS 182 N 2.73 3.52 -0.40 2.79 2.20 -0.49 -1.58 119.74 128.52 3a79 s LYS 182 Ca 0.22 -2.14 0.08 0.00 -0.36 0.00 0.00 55.97 53.77 3a79 s LYS 182 Cb -0.14 -4.53 0.43 0.00 -1.51 0.00 0.00 37.83 32.08 3a79 s LYS 182 CO 0.17 -1.44 1.09 0.00 -0.36 0.00 0.00 175.35 174.82 3a79 n ALA 183 N 4.90 4.72 -0.19 3.13 0.00 -0.66 0.08 120.51 132.49 3a79 n ALA 183 Ca 0.13 -4.02 0.21 0.00 0.00 0.00 0.00 53.44 49.75 3a79 n ALA 183 Cb 0.47 -0.59 0.57 0.00 0.00 0.00 0.00 19.45 19.90 3a79 n ALA 183 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3a79 h LEU 184 N 2.60 0.27 -3.60 0.00 3.38 -1.54 -0.78 115.31 115.65 3a79 h LEU 184 Ca 0.23 0.03 -0.12 0.00 0.09 0.00 0.00 57.88 58.10 3a79 h LEU 184 Cb 1.05 -0.03 -0.07 0.00 0.09 0.00 0.00 40.66 41.70 3a79 h LEU 184 CO 0.76 0.12 0.14 -1.20 0.09 0.00 0.00 178.44 178.34 3a79 n SER 185 N -4.44 4.82 -4.53 -0.43 7.64 -1.25 -3.72 113.62 111.70 3a79 n SER 185 Ca 0.17 -3.15 -0.38 0.00 1.01 0.00 0.00 58.87 56.53 3a79 n SER 185 Cb 0.72 -0.69 -0.07 0.00 -1.01 0.00 0.00 64.21 63.16 3a79 n SER 185 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 3a79 n LEU 186 N -0.06 1.67 0.17 -3.43 7.94 -0.30 -4.37 117.00 118.62 3a79 n LEU 186 Ca 0.34 -0.26 0.11 0.00 -1.11 0.00 0.00 56.01 55.09 3a79 n LEU 186 Cb 1.24 -1.36 0.09 0.00 0.53 0.00 0.00 43.42 43.92 3a79 n LEU 186 CO 0.35 -1.28 0.46 0.03 -1.11 0.00 0.00 177.39 175.84 3a79 h ARG 187 N 16.99 0.00 -1.94 1.96 3.08 -0.80 -3.46 114.38 130.21 3a79 h ARG 187 Ca -0.18 0.00 0.03 0.00 0.07 0.00 0.00 59.98 59.89 3a79 h ARG 187 Cb 1.28 0.00 -0.22 0.00 0.08 0.00 0.00 29.97 31.12 3a79 h ARG 187 CO 1.23 0.03 0.08 1.21 -1.07 0.00 0.00 179.97 181.46 3a79 s ASN 188 N -5.88 -0.86 -0.31 7.04 3.84 -0.69 -5.04 114.94 113.04 3a79 s ASN 188 Ca 0.04 1.41 0.01 0.00 0.21 0.00 0.00 52.86 54.53 3a79 s ASN 188 Cb 0.07 1.37 0.10 0.00 -0.55 0.00 0.00 41.25 42.23 3a79 s ASN 188 CO 0.72 -0.23 0.06 -0.47 -2.79 0.00 0.00 177.10 174.40 3a79 s TYR 189 N 1.44 2.47 0.28 0.43 5.04 -1.26 -2.01 117.35 123.74 3a79 s TYR 189 Ca -0.09 -2.16 -0.29 0.00 -2.44 0.00 0.00 57.07 52.10 3a79 s TYR 189 Cb -0.05 -2.10 -0.14 0.00 0.35 0.00 0.00 41.96 40.02 3a79 s TYR 189 CO -0.17 -0.89 1.14 0.94 -1.34 0.00 0.00 175.55 175.23 3a79 n GLN 190 N 4.63 1.59 -1.80 4.97 7.27 -0.41 -4.88 117.38 128.74 3a79 n GLN 190 Ca -0.01 0.56 -0.42 0.00 0.07 0.00 0.00 57.00 57.20 3a79 n GLN 190 Cb 0.42 -2.02 -0.03 0.00 2.41 0.00 0.00 30.24 31.02 3a79 n GLN 190 CO 0.00 0.00 0.00 -1.54 0.07 0.00 0.00 177.06 175.59 3a79 s SER 191 N -0.34 6.44 0.00 1.69 1.04 -1.26 -3.38 113.70 117.89 3a79 s SER 191 Ca 0.60 2.82 0.00 0.00 0.48 0.00 0.00 55.95 59.86 3a79 s SER 191 Cb -0.68 -2.61 0.00 0.00 0.10 0.00 0.00 66.02 62.83 3a79 s SER 191 CO 0.58 -0.91 0.00 0.00 0.98 0.00 0.00 173.24 173.90 3a79 n GLN 192 N 3.40 0.00 0.13 4.02 6.02 -1.26 -4.84 117.38 124.84 3a79 n GLN 192 Ca 0.13 0.39 -0.14 0.00 -0.01 0.00 0.00 57.00 57.37 3a79 n GLN 192 Cb 0.37 -3.45 -0.08 0.00 1.02 0.00 0.00 30.24 28.10 3a79 n GLN 192 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 177.06 176.82 3a79 h SER 193 N 0.00 -0.20 0.22 1.08 0.02 -1.85 -3.10 113.55 109.72 3a79 h SER 193 Ca 0.00 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 3a79 h SER 193 Cb 0.00 0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.59 3a79 h SER 193 CO 0.00 -0.13 -0.02 0.18 -1.14 0.00 0.00 176.83 175.72 3a79 n LEU 194 N -5.19 0.16 0.12 5.07 7.99 -1.26 -4.22 117.00 119.67 3a79 n LEU 194 Ca -0.09 0.06 -0.01 0.00 -0.01 0.00 0.00 56.01 55.96 3a79 n LEU 194 Cb 0.13 -0.11 0.03 0.00 -0.11 0.00 0.00 43.42 43.36 3a79 n LEU 194 CO 0.34 0.03 0.38 0.50 -1.51 0.00 0.00 177.39 177.14 3a79 h LYS 195 N 0.23 0.00 -0.10 3.23 3.64 -1.59 -3.24 116.57 118.73 3a79 h LYS 195 Ca 0.00 0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 59.30 3a79 h LYS 195 Cb 0.17 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.98 3a79 h LYS 195 CO 0.00 0.68 -0.30 0.66 -2.27 0.00 0.00 179.45 178.21 3a79 h SER 196 N 0.00 0.19 -2.51 4.20 4.64 -1.74 -3.42 113.55 114.91 3a79 h SER 196 Ca -0.01 -0.06 -0.56 0.00 -0.47 0.00 0.00 61.79 60.69 3a79 h SER 196 Cb 1.43 -0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 63.45 3a79 h SER 196 CO 0.09 0.50 1.21 -0.63 -0.87 0.00 0.00 176.83 177.12 3a79 s ILE 197 N -4.36 3.40 0.15 0.95 1.01 -1.23 -4.87 121.20 116.27 3a79 s ILE 197 Ca -0.04 0.46 -0.06 0.00 0.00 0.00 0.00 60.65 61.01 3a79 s ILE 197 Cb 0.14 -3.38 -0.11 0.00 0.01 0.00 0.00 42.46 39.12 3a79 s ILE 197 CO 0.75 -0.13 1.41 -0.09 0.00 0.00 0.00 174.94 176.87 3a79 h ARG 198 N 11.20 0.59 -2.97 2.79 2.43 -1.50 -3.43 114.38 123.50 3a79 h ARG 198 Ca -0.40 -0.45 -0.20 0.00 -0.81 0.00 0.00 59.98 58.12 3a79 h ARG 198 Cb 1.19 0.08 -0.31 0.00 -0.42 0.00 0.00 29.97 30.52 3a79 h ARG 198 CO 0.97 1.07 -0.50 0.34 -1.51 0.00 0.00 179.97 180.34 3a79 s ASP 199 N -7.00 -0.05 -0.13 -3.80 3.68 -0.92 -4.16 116.67 104.29 3a79 s ASP 199 Ca -0.08 0.55 -0.01 0.00 2.13 0.00 0.00 52.55 55.14 3a79 s ASP 199 Cb 0.10 0.50 0.04 0.00 -1.45 0.00 0.00 42.92 42.11 3a79 s ASP 199 CO 0.86 -0.19 -0.03 -0.63 0.13 0.00 0.00 175.17 175.31 3a79 s ILE 200 N 1.65 0.82 0.19 4.11 1.01 -0.48 -1.79 121.20 126.72 3a79 s ILE 200 Ca -0.06 -0.33 0.04 0.00 0.00 0.00 0.00 60.65 60.31 3a79 s ILE 200 Cb -0.11 -0.99 -0.12 0.00 0.01 0.00 0.00 42.46 41.25 3a79 s ILE 200 CO -0.09 0.19 1.43 0.45 0.00 0.00 0.00 174.94 176.93 3a79 h HIS 201 N 8.21 0.24 -1.10 3.97 3.86 -1.09 -1.54 115.15 127.69 3a79 h HIS 201 Ca -0.24 -0.12 0.03 0.00 -1.16 0.00 0.00 60.37 58.88 3a79 h HIS 201 Cb 1.12 -0.03 -0.22 0.00 1.06 0.00 0.00 27.41 29.34 3a79 h HIS 201 CO 0.44 0.89 -0.35 -1.58 0.86 0.00 0.00 177.93 178.19 3a79 s HIS 202 N -3.33 -1.64 -0.27 2.45 5.65 -0.18 -2.98 115.29 114.99 3a79 s HIS 202 Ca -0.03 1.26 -0.12 0.00 0.25 0.00 0.00 55.06 56.43 3a79 s HIS 202 Cb 0.11 0.37 -0.05 0.00 -1.18 0.00 0.00 32.58 31.83 3a79 s HIS 202 CO 0.81 -0.98 0.23 -1.17 -0.65 0.00 0.00 174.74 172.99 3a79 s LEU 203 N 2.80 4.05 -0.32 8.88 2.96 -0.54 -1.50 118.68 135.02 3a79 s LEU 203 Ca 0.14 0.10 -0.08 0.00 -0.22 0.00 0.00 54.13 54.08 3a79 s LEU 203 Cb -0.12 -2.20 0.02 0.00 0.50 0.00 0.00 46.19 44.38 3a79 s LEU 203 CO -0.24 -0.06 0.12 -0.89 -1.32 0.00 0.00 176.35 173.97 3a79 s THR 204 N 1.66 4.14 -0.15 3.68 2.01 -0.11 -1.26 115.64 125.61 3a79 s THR 204 Ca 0.09 -0.78 -0.06 0.00 0.31 0.00 0.00 61.69 61.26 3a79 s THR 204 Cb -0.15 -3.21 -0.04 0.00 0.01 0.00 0.00 72.50 69.11 3a79 s THR 204 CO 0.09 -0.04 0.07 -0.76 -0.69 0.00 0.00 174.62 173.29 3a79 s LEU 205 N 1.51 3.89 -0.37 4.42 1.43 0.11 -1.51 118.68 128.16 3a79 s LEU 205 Ca 0.02 0.18 -0.04 0.00 -1.03 0.00 0.00 54.13 53.25 3a79 s LEU 205 Cb -0.18 -1.96 0.07 0.00 0.03 0.00 0.00 46.19 44.16 3a79 s LEU 205 CO 0.04 0.27 0.14 -1.00 0.23 0.00 0.00 176.35 176.03 3a79 s HIS 206 N -0.21 3.39 -0.02 0.29 3.76 -0.61 -0.15 115.29 121.74 3a79 s HIS 206 Ca 0.08 -1.92 0.07 0.00 -0.15 0.00 0.00 55.06 53.14 3a79 s HIS 206 Cb -0.12 -2.70 -0.02 0.00 1.11 0.00 0.00 32.58 30.85 3a79 s HIS 206 CO 0.01 -0.86 -0.24 -0.51 -0.85 0.00 0.00 174.74 172.29 3a79 s LEU 207 N 1.27 2.16 0.32 0.89 1.43 -1.09 -1.65 118.68 122.01 3a79 s LEU 207 Ca 0.02 -0.43 0.24 0.00 -1.03 0.00 0.00 54.13 52.93 3a79 s LEU 207 Cb -0.21 -1.37 0.49 0.00 0.03 0.00 0.00 46.19 45.12 3a79 s LEU 207 CO -0.01 0.32 1.61 0.77 0.23 0.00 0.00 176.35 179.28 3a79 h SER 208 N 5.47 0.00 -5.00 2.29 4.64 -1.72 -2.83 113.55 116.39 3a79 h SER 208 Ca -0.44 -0.01 0.05 0.00 -0.47 0.00 0.00 61.79 60.92 3a79 h SER 208 Cb 1.13 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 63.15 3a79 h SER 208 CO 0.48 0.01 0.23 -1.83 -0.87 0.00 0.00 176.83 174.84 3a79 s GLU 209 N -3.18 1.66 0.00 4.77 4.04 -1.26 -0.69 118.70 124.03 3a79 s GLU 209 Ca 0.08 -0.85 0.29 0.00 0.04 0.00 0.00 54.97 54.53 3a79 s GLU 209 Cb 0.08 0.60 1.34 0.00 0.02 0.00 0.00 34.13 36.18 3a79 s GLU 209 CO 0.66 -0.75 1.97 -1.13 -1.84 0.00 0.00 175.26 174.16 3a79 n SER 210 N -0.44 0.00 -0.24 0.83 3.41 -1.19 -4.37 113.62 111.62 3a79 n SER 210 Ca -0.07 0.25 0.32 0.00 -0.26 0.00 0.00 58.87 59.11 3a79 n SER 210 Cb 0.61 -0.42 0.71 0.00 -0.26 0.00 0.00 64.21 64.85 3a79 n SER 210 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3a79 h ALA 211 N 3.16 2.92 0.00 7.33 0.00 -1.97 -1.44 119.26 129.25 3a79 h ALA 211 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3a79 h ALA 211 Cb 0.41 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.28 3a79 h ALA 211 CO 0.00 -1.38 0.00 1.19 0.00 0.00 0.00 179.25 179.06 3a79 n PHE 212 N -3.94 0.00 -0.13 0.00 3.01 -1.26 -4.77 117.46 110.38 3a79 n PHE 212 Ca 0.22 0.00 -0.04 0.00 1.01 0.00 0.00 57.45 58.64 3a79 n PHE 212 Cb 1.19 0.00 0.04 0.00 -0.01 0.00 0.00 39.48 40.69 3a79 n PHE 212 CO 0.00 0.00 0.00 1.25 1.01 0.00 0.00 176.76 179.02 3a79 h LEU 213 N 0.00 -0.17 -0.38 4.37 5.85 -1.53 -0.60 115.31 122.86 3a79 h LEU 213 Ca 0.00 0.10 0.05 0.00 0.84 0.00 0.00 57.88 58.86 3a79 h LEU 213 Cb 0.00 0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.16 3a79 h LEU 213 CO 0.00 -0.05 0.12 -0.07 -0.34 0.00 0.00 178.44 178.11 3a79 h LEU 214 N 0.11 0.12 -0.66 2.25 3.38 -1.86 0.77 115.31 119.42 3a79 h LEU 214 Ca 0.21 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.23 3a79 h LEU 214 Cb 0.30 0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.05 3a79 h LEU 214 CO -0.35 0.10 0.43 -0.33 0.09 0.00 0.00 178.44 178.39 3a79 h GLU 215 N 0.27 0.88 -0.10 1.13 5.08 -1.66 -2.90 114.58 117.28 3a79 h GLU 215 Ca 0.17 -0.06 -0.14 0.00 -1.00 0.00 0.00 59.36 58.33 3a79 h GLU 215 Cb 0.16 -0.19 0.01 0.00 0.50 0.00 0.00 28.75 29.22 3a79 h GLU 215 CO -0.18 0.59 -0.49 0.82 -1.00 0.00 0.00 179.01 178.74 3a79 h ILE 216 N 0.90 1.37 -0.66 3.13 2.04 -0.90 -3.14 117.51 120.25 3a79 h ILE 216 Ca 0.24 -1.83 0.18 0.00 1.00 0.00 0.00 64.86 64.46 3a79 h ILE 216 Cb -0.09 2.21 -0.03 0.00 -0.74 0.00 0.00 36.82 38.17 3a79 h ILE 216 CO -0.05 0.55 0.47 0.15 0.00 0.00 0.00 178.15 179.27 3a79 h PHE 217 N 0.10 0.10 -0.01 1.37 3.57 -0.84 0.81 116.94 122.03 3a79 h PHE 217 Ca -0.03 0.00 -0.16 0.00 3.53 0.00 0.00 57.97 61.31 3a79 h PHE 217 Cb 1.14 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 39.83 3a79 h PHE 217 CO 0.11 0.03 -0.73 0.00 -2.23 0.00 0.00 178.31 175.50 3a79 h ALA 218 N 1.67 0.76 0.00 2.41 0.00 -1.46 -3.18 119.26 119.46 3a79 h ALA 218 Ca 0.32 -0.64 0.00 0.00 0.00 0.00 0.00 54.91 54.59 3a79 h ALA 218 Cb 1.15 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.84 3a79 h ALA 218 CO -0.03 0.86 0.00 -0.44 0.00 0.00 0.00 179.25 179.64 3a79 h ASP 219 N 0.06 0.00 -0.25 0.00 3.32 -0.85 -3.22 116.42 115.48 3a79 h ASP 219 Ca -0.02 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.03 3a79 h ASP 219 Cb 1.28 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.83 3a79 h ASP 219 CO 0.10 0.00 0.00 2.30 -1.72 0.00 0.00 179.24 179.92 3a79 n ILE 220 N -2.64 1.69 0.22 0.35 -5.35 -1.06 -3.57 119.36 109.00 3a79 n ILE 220 Ca 0.04 -1.53 0.07 0.00 -0.27 0.00 0.00 62.75 61.06 3a79 n ILE 220 Cb 0.43 0.08 0.52 0.00 -1.74 0.00 0.00 39.64 38.92 3a79 n ILE 220 CO 0.00 0.00 0.00 -0.07 -1.76 0.00 0.00 176.55 174.72 3a79 h LEU 221 N 1.58 0.00 -1.11 7.28 3.38 -1.57 -2.66 115.31 122.20 3a79 h LEU 221 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3a79 h LEU 221 Cb 1.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.82 3a79 h LEU 221 CO 0.11 0.23 -0.14 -1.54 0.09 0.00 0.00 178.44 177.19 3a79 n SER 222 N -3.98 1.68 -0.06 -0.43 3.41 -1.26 -3.81 113.62 109.17 3a79 n SER 222 Ca -0.02 -1.34 -0.12 0.00 -0.26 0.00 0.00 58.87 57.13 3a79 n SER 222 Cb 0.31 0.26 -0.04 0.00 -0.26 0.00 0.00 64.21 64.48 3a79 n SER 222 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3a79 n SER 223 N 0.21 1.04 -4.76 4.04 3.41 -1.13 -4.67 113.62 111.75 3a79 n SER 223 Ca 0.06 0.17 -0.41 0.00 -0.26 0.00 0.00 58.87 58.44 3a79 n SER 223 Cb 0.29 -0.41 -0.03 0.00 -0.26 0.00 0.00 64.21 63.79 3a79 n SER 223 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3a79 s VAL 224 N -2.28 3.08 -0.14 -3.33 1.01 -1.02 -1.38 120.40 116.35 3a79 s VAL 224 Ca -0.17 1.05 0.08 0.00 0.00 0.00 0.00 61.98 62.94 3a79 s VAL 224 Cb 0.06 -3.67 -0.11 0.00 0.00 0.00 0.00 36.38 32.66 3a79 s VAL 224 CO 0.22 0.24 0.23 0.54 0.00 0.00 0.00 175.10 176.33 3a79 n ARG 225 N 1.21 1.68 -3.44 2.72 1.74 -0.58 -2.19 116.66 117.80 3a79 n ARG 225 Ca 0.00 -0.05 -0.02 0.00 -0.77 0.00 0.00 57.85 57.01 3a79 n ARG 225 Cb 0.43 -1.08 -0.05 0.00 -1.02 0.00 0.00 32.46 30.74 3a79 n ARG 225 CO 0.00 0.00 0.00 -0.47 -1.52 0.00 0.00 177.63 175.64 3a79 s TYR 226 N -2.28 -1.23 -0.22 -1.55 6.04 -1.16 -1.52 117.35 115.43 3a79 s TYR 226 Ca -0.01 1.72 -0.07 0.00 0.04 0.00 0.00 57.07 58.75 3a79 s TYR 226 Cb 0.05 0.50 -0.03 0.00 -1.04 0.00 0.00 41.96 41.44 3a79 s TYR 226 CO 0.34 -0.71 0.06 -1.17 -1.54 0.00 0.00 175.55 172.53 3a79 s LEU 227 N 2.77 3.52 -0.23 6.97 2.96 -0.76 -1.46 118.68 132.44 3a79 s LEU 227 Ca 0.07 -0.13 0.00 0.00 -0.22 0.00 0.00 54.13 53.85 3a79 s LEU 227 Cb -0.14 -1.92 0.03 0.00 0.50 0.00 0.00 46.19 44.66 3a79 s LEU 227 CO -0.18 0.04 -0.11 -0.70 -1.32 0.00 0.00 176.35 174.08 3a79 s GLU 228 N 1.19 2.76 -0.19 1.98 2.12 -0.39 -1.26 118.70 124.91 3a79 s GLU 228 Ca 0.04 -1.01 -0.06 0.00 0.36 0.00 0.00 54.97 54.30 3a79 s GLU 228 Cb -0.14 -2.85 -0.03 0.00 0.26 0.00 0.00 34.13 31.36 3a79 s GLU 228 CO 0.03 -0.38 0.03 -1.17 -0.54 0.00 0.00 175.26 173.23 3a79 s LEU 229 N 1.27 3.55 -0.07 2.70 2.96 0.26 -0.71 118.68 128.64 3a79 s LEU 229 Ca -0.00 -0.05 0.05 0.00 -0.22 0.00 0.00 54.13 53.90 3a79 s LEU 229 Cb -0.16 -1.90 -0.00 0.00 0.50 0.00 0.00 46.19 44.62 3a79 s LEU 229 CO -0.07 0.13 -0.23 -0.13 -1.32 0.00 0.00 176.35 174.73 3a79 s ARG 230 N 0.65 2.57 -1.32 1.98 0.52 0.78 -0.76 118.95 123.35 3a79 s ARG 230 Ca 0.01 -0.82 -0.02 0.00 -0.52 0.00 0.00 55.73 54.39 3a79 s ARG 230 Cb -0.14 -2.07 0.00 0.00 0.52 0.00 0.00 34.95 33.27 3a79 s ARG 230 CO 0.02 0.26 0.20 -0.25 0.02 0.00 0.00 175.30 175.55 3a79 n ASP 231 N 3.26 -4.98 -4.76 0.23 8.00 -1.26 -2.68 116.55 114.36 3a79 n ASP 231 Ca -0.19 -0.10 -0.37 0.00 0.71 0.00 0.00 54.79 54.84 3a79 n ASP 231 Cb 0.52 -3.98 -0.07 0.00 -0.02 0.00 0.00 41.12 37.58 3a79 n ASP 231 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3a79 s THR 232 N -2.91 5.26 -0.61 -3.53 2.01 -1.07 -4.17 115.64 110.62 3a79 s THR 232 Ca 0.10 0.62 -0.28 0.00 0.31 0.00 0.00 61.69 62.44 3a79 s THR 232 Cb -0.04 -3.65 0.03 0.00 0.01 0.00 0.00 72.50 68.85 3a79 s THR 232 CO 0.12 0.43 1.22 0.21 -0.69 0.00 0.00 174.62 175.91 3a79 s ASN 233 N 0.13 6.38 0.00 3.53 3.04 0.13 -1.19 114.94 126.96 3a79 s ASN 233 Ca 0.19 0.01 0.21 0.00 0.04 0.00 0.00 52.86 53.30 3a79 s ASN 233 Cb -0.14 -2.55 0.50 0.00 -1.54 0.00 0.00 41.25 37.52 3a79 s ASN 233 CO 0.06 -1.56 1.43 0.18 -3.04 0.00 0.00 177.10 174.17 3a79 n LEU 234 N 8.66 3.59 -0.27 3.21 4.77 -0.43 -3.15 117.00 133.38 3a79 n LEU 234 Ca 0.08 -1.78 0.03 0.00 -0.03 0.00 0.00 56.01 54.31 3a79 n LEU 234 Cb 0.49 -0.35 0.11 0.00 -2.33 0.00 0.00 43.42 41.34 3a79 n LEU 234 CO 0.71 0.85 0.73 0.00 -1.33 0.00 0.00 177.39 178.35 3a79 h ALA 235 N 4.03 0.59 -1.73 -1.18 0.00 -1.85 -1.58 119.26 117.53 3a79 h ALA 235 Ca 0.00 0.29 -0.60 0.00 0.00 0.00 0.00 54.91 54.60 3a79 h ALA 235 Cb 0.94 0.56 -0.41 0.00 0.00 0.00 0.00 17.79 18.88 3a79 h ALA 235 CO 0.00 -0.42 -0.59 0.54 0.00 0.00 0.00 179.25 178.78 3a79 n ARG 236 N -5.48 3.39 -2.91 0.00 5.12 -1.26 -4.54 116.66 110.98 3a79 n ARG 236 Ca 0.12 -4.58 -0.41 0.00 -1.93 0.00 0.00 57.85 51.04 3a79 n ARG 236 Cb 0.43 -2.25 -0.04 0.00 -1.16 0.00 0.00 32.46 29.43 3a79 n ARG 236 CO 0.00 0.00 0.00 0.12 -1.93 0.00 0.00 177.63 175.82 3a79 s PHE 237 N -3.56 3.36 -0.17 -1.55 5.36 -0.60 -5.02 117.98 115.80 3a79 s PHE 237 Ca 0.48 1.16 -0.04 0.00 -0.96 0.00 0.00 56.93 57.57 3a79 s PHE 237 Cb 0.36 -3.01 -0.02 0.00 -0.34 0.00 0.00 43.02 40.00 3a79 s PHE 237 CO -0.18 -0.32 -0.03 -1.14 -1.46 0.00 0.00 175.22 172.09 3a79 s GLN 238 N 2.49 3.63 0.55 10.12 2.00 -1.26 -4.77 119.66 132.42 3a79 s GLN 238 Ca 0.35 -0.53 -0.07 0.00 -2.00 0.00 0.00 55.36 53.12 3a79 s GLN 238 Cb -0.16 -2.97 -0.02 0.00 0.80 0.00 0.00 33.01 30.66 3a79 s GLN 238 CO 0.09 0.14 0.88 0.12 -0.50 0.00 0.00 175.29 176.02 3a79 s PHE 239 N 0.64 3.49 -0.26 1.67 5.36 -1.26 -5.00 117.98 122.61 3a79 s PHE 239 Ca -0.02 0.87 -0.26 0.00 -0.96 0.00 0.00 56.93 56.56 3a79 s PHE 239 Cb -0.14 -2.53 0.15 0.00 -0.34 0.00 0.00 43.02 40.15 3a79 s PHE 239 CO 0.02 -0.54 1.17 -1.54 -1.46 0.00 0.00 175.22 172.87 3a79 s SER 240 N -4.18 -0.29 0.36 6.13 1.04 -1.26 -5.12 113.70 110.37 3a79 s SER 240 Ca 0.51 0.49 -0.25 0.00 0.48 0.00 0.00 55.95 57.18 3a79 s SER 240 Cb -0.11 0.47 -0.13 0.00 0.10 0.00 0.00 66.02 66.36 3a79 s SER 240 CO 0.47 -0.14 0.76 -2.65 0.98 0.00 0.00 173.24 172.66 3a79 n PRO 241 N 1.59 0.87 -3.36 4.02 -0.02 -1.26 -4.94 135.00 131.91 3a79 n PRO 241 Ca -0.10 0.31 -0.35 0.00 -2.02 0.00 0.00 63.50 61.33 3a79 n PRO 241 Cb 0.57 -1.64 -0.06 0.00 -0.02 0.00 0.00 33.50 32.35 3a79 n PRO 241 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3a79 s LEU 242 N 1.10 4.35 0.25 2.45 1.43 -1.26 -4.98 118.68 122.02 3a79 s LEU 242 Ca 0.62 1.08 -0.04 0.00 -1.03 0.00 0.00 54.13 54.77 3a79 s LEU 242 Cb -0.66 -3.24 0.43 0.00 0.03 0.00 0.00 46.19 42.75 3a79 s LEU 242 CO 0.58 0.11 1.80 -0.65 0.23 0.00 0.00 176.35 178.42 3a79 h PRO 243 N 3.61 0.71 -5.64 1.29 0.11 -1.99 -3.46 132.00 126.63 3a79 h PRO 243 Ca -0.49 -0.04 -0.54 0.00 0.11 0.00 0.00 66.00 65.04 3a79 h PRO 243 Cb 1.19 -0.16 0.19 0.00 0.11 0.00 0.00 31.00 32.34 3a79 h PRO 243 CO 0.66 0.47 -1.38 1.33 -0.21 0.00 0.00 178.00 178.87 3a79 n VAL 244 N -4.78 0.00 -2.39 3.15 0.24 -1.26 -4.98 118.33 108.30 3a79 n VAL 244 Ca 0.14 -0.47 -0.27 0.00 -2.04 0.00 0.00 64.34 61.71 3a79 n VAL 244 Cb 0.32 0.00 0.03 0.00 -1.47 0.00 0.00 33.84 32.72 3a79 n VAL 244 CO 0.00 0.00 0.00 -1.81 -2.14 0.00 0.00 176.83 172.88 3a79 s ASP 245 N -0.94 5.60 -0.88 -1.34 1.11 -1.26 -4.93 116.67 114.03 3a79 s ASP 245 Ca 0.47 0.73 -0.25 0.00 0.18 0.00 0.00 52.55 53.67 3a79 s ASP 245 Cb -0.34 -1.72 -0.18 0.00 1.07 0.00 0.00 42.92 41.75 3a79 s ASP 245 CO 0.69 -1.06 2.28 -0.62 1.18 0.00 0.00 175.17 177.64 3a79 n GLU 246 N -2.59 0.37 -4.26 8.23 1.02 -1.26 -4.89 120.64 117.26 3a79 n GLU 246 Ca 0.04 -1.10 -0.34 0.00 -0.02 0.00 0.00 57.16 55.74 3a79 n GLU 246 Cb 0.57 -3.64 -0.13 0.00 -0.02 0.00 0.00 31.44 28.22 3a79 n GLU 246 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3a79 s VAL 247 N 15.00 3.71 -0.20 2.62 1.01 -1.26 -5.08 120.40 136.21 3a79 s VAL 247 Ca 0.89 -0.41 -0.29 0.00 0.00 0.00 0.00 61.98 62.17 3a79 s VAL 247 Cb -0.13 -2.65 -0.03 0.00 0.00 0.00 0.00 36.38 33.58 3a79 s VAL 247 CO 0.13 0.46 1.56 -0.55 0.00 0.00 0.00 175.10 176.71 3a79 s SER 248 N 0.75 6.50 0.04 3.32 0.15 -1.26 -4.94 113.70 118.26 3a79 s SER 248 Ca -0.02 1.67 -0.24 0.00 0.70 0.00 0.00 55.95 58.06 3a79 s SER 248 Cb -0.15 -2.53 -0.06 0.00 -1.71 0.00 0.00 66.02 61.58 3a79 s SER 248 CO 0.02 -1.15 0.74 -0.55 1.20 0.00 0.00 173.24 173.50 3a79 s SER 249 N 3.77 7.19 0.46 5.45 0.15 -1.26 -4.80 113.70 124.66 3a79 s SER 249 Ca 0.69 1.42 0.31 0.00 0.70 0.00 0.00 55.95 59.07 3a79 s SER 249 Cb -0.25 -2.46 1.32 0.00 -1.71 0.00 0.00 66.02 62.92 3a79 s SER 249 CO 0.27 0.04 1.91 -0.65 1.20 0.00 0.00 173.24 176.01 3a79 h PRO 250 N 5.60 0.00 -6.56 5.44 0.11 -1.76 -3.39 132.00 131.43 3a79 h PRO 250 Ca -0.44 0.00 -0.52 0.00 0.11 0.00 0.00 66.00 65.14 3a79 h PRO 250 Cb 1.20 0.00 0.04 0.00 0.11 0.00 0.00 31.00 32.36 3a79 h PRO 250 CO 0.70 0.00 1.05 1.41 -0.21 0.00 0.00 178.00 180.95 3a79 s MET 251 N -3.59 4.15 -0.00 1.05 1.75 -0.93 -4.59 119.30 117.14 3a79 s MET 251 Ca 0.02 2.55 0.02 0.00 -1.25 0.00 0.00 55.69 57.03 3a79 s MET 251 Cb 0.09 -3.38 -0.03 0.00 2.84 0.00 0.00 34.83 34.36 3a79 s MET 251 CO 0.47 -0.78 0.03 1.63 -0.65 0.00 0.00 175.02 175.72 3a79 n LYS 252 N 4.94 0.31 -4.54 4.11 4.76 -0.57 -2.76 118.16 124.40 3a79 n LYS 252 Ca 0.17 -0.01 -0.21 0.00 -2.87 0.00 0.00 58.31 55.38 3a79 n LYS 252 Cb 0.37 -1.04 -0.15 0.00 -1.84 0.00 0.00 35.03 32.38 3a79 n LYS 252 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 3a79 s LYS 253 N -2.11 1.04 -0.04 1.97 2.20 -1.17 -1.69 119.74 119.93 3a79 s LYS 253 Ca -0.01 -0.53 0.01 0.00 -0.36 0.00 0.00 55.97 55.09 3a79 s LYS 253 Cb 0.01 -1.01 0.02 0.00 -1.51 0.00 0.00 37.83 35.34 3a79 s LYS 253 CO 0.07 0.27 -0.05 -1.17 -0.36 0.00 0.00 175.35 174.11 3a79 s LEU 254 N -0.48 1.38 -0.01 5.43 2.96 -0.51 -1.84 118.68 125.60 3a79 s LEU 254 Ca 0.04 -0.14 0.00 0.00 -0.22 0.00 0.00 54.13 53.81 3a79 s LEU 254 Cb -0.06 -0.47 0.01 0.00 0.50 0.00 0.00 46.19 46.17 3a79 s LEU 254 CO -0.00 -0.04 0.01 0.00 -1.32 0.00 0.00 176.35 174.99 3a79 s ALA 255 N 0.86 0.11 -0.20 5.97 0.00 -0.39 -0.71 121.76 127.40 3a79 s ALA 255 Ca -0.12 0.12 -0.03 0.00 0.00 0.00 0.00 51.96 51.93 3a79 s ALA 255 Cb -0.15 -0.14 -0.01 0.00 0.00 0.00 0.00 23.12 22.82 3a79 s ALA 255 CO 0.01 -0.04 -0.07 -0.06 0.00 0.00 0.00 175.76 175.59 3a79 s PHE 256 N 0.52 2.92 0.00 0.00 0.40 0.59 -0.58 117.98 121.83 3a79 s PHE 256 Ca -0.05 -0.96 0.00 0.00 -0.60 0.00 0.00 56.93 55.32 3a79 s PHE 256 Cb -0.07 -2.04 0.00 0.00 0.51 0.00 0.00 43.02 41.42 3a79 s PHE 256 CO -0.01 -0.52 0.00 0.54 0.70 0.00 0.00 175.22 175.93 3a79 n ARG 257 N 4.57 0.00 -2.02 0.44 5.12 0.06 0.38 116.66 125.20 3a79 n ARG 257 Ca -0.18 0.04 -0.31 0.00 -1.93 0.00 0.00 57.85 55.46 3a79 n ARG 257 Cb 0.51 -0.37 0.03 0.00 -1.16 0.00 0.00 32.46 31.47 3a79 n ARG 257 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3a79 n GLY 258 N 2.41 5.94 3.82 -0.13 0.00 -1.26 -1.42 105.19 114.55 3a79 n GLY 258 Ca 0.00 -2.59 -0.33 0.00 0.00 0.00 0.00 46.02 43.10 3a79 n GLY 258 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3a79 s SER 259 N -2.57 6.93 -0.23 1.61 0.01 -1.26 -4.02 113.70 114.18 3a79 s SER 259 Ca 0.53 1.62 -0.09 0.00 1.31 0.00 0.00 55.95 59.33 3a79 s SER 259 Cb 0.43 -2.51 -0.04 0.00 0.21 0.00 0.00 66.02 64.11 3a79 s SER 259 CO -0.17 -0.32 0.10 -0.69 0.41 0.00 0.00 173.24 172.58 3a79 s VAL 260 N -2.11 4.86 0.17 3.43 1.01 -0.34 -0.66 120.40 126.75 3a79 s VAL 260 Ca 0.60 0.00 0.10 0.00 0.00 0.00 0.00 61.98 62.68 3a79 s VAL 260 Cb -0.10 -3.24 -0.04 0.00 0.00 0.00 0.00 36.38 33.00 3a79 s VAL 260 CO 0.14 0.38 -0.21 -0.76 0.00 0.00 0.00 175.10 174.64 3a79 s LEU 261 N 1.03 2.41 0.31 3.92 1.43 0.70 -1.31 118.68 127.17 3a79 s LEU 261 Ca 0.05 -0.83 0.08 0.00 -1.03 0.00 0.00 54.13 52.40 3a79 s LEU 261 Cb -0.14 -0.99 -0.06 0.00 0.03 0.00 0.00 46.19 45.03 3a79 s LEU 261 CO 0.04 0.05 -0.07 0.42 0.23 0.00 0.00 176.35 177.02 3a79 s THR 262 N -1.72 1.86 0.54 5.49 -4.23 -1.26 -1.29 115.64 115.03 3a79 s THR 262 Ca 0.16 -2.15 0.28 0.00 -1.18 0.00 0.00 61.69 58.80 3a79 s THR 262 Cb -0.07 -2.54 0.42 0.00 1.34 0.00 0.00 72.50 71.65 3a79 s THR 262 CO 0.08 -0.25 1.96 0.44 -0.54 0.00 0.00 174.62 176.30 3a79 h ASP 263 N 2.17 0.00 -0.25 3.99 3.45 -1.91 0.24 116.42 124.11 3a79 h ASP 263 Ca -0.41 0.00 -0.10 0.00 0.43 0.00 0.00 57.03 56.96 3a79 h ASP 263 Cb 1.24 0.00 -0.02 0.00 -0.56 0.00 0.00 39.33 39.99 3a79 h ASP 263 CO 0.69 0.00 -0.17 -0.33 -1.57 0.00 0.00 179.24 177.86 3a79 h GLU 264 N 0.00 0.69 -0.70 3.56 4.39 -1.89 -3.14 114.58 117.49 3a79 h GLU 264 Ca 0.29 -0.24 -0.01 0.00 0.34 0.00 0.00 59.36 59.74 3a79 h GLU 264 Cb 1.21 -0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 29.77 3a79 h GLU 264 CO -0.00 0.82 0.39 0.77 -1.16 0.00 0.00 179.01 179.83 3a79 h SER 265 N 0.62 0.86 -0.74 1.42 0.02 -0.76 -1.24 113.55 113.73 3a79 h SER 265 Ca 0.10 -0.06 0.04 0.00 -0.84 0.00 0.00 61.79 61.02 3a79 h SER 265 Cb 0.63 -0.22 -0.05 0.00 0.14 0.00 0.00 62.40 62.90 3a79 h SER 265 CO 0.04 0.69 0.46 0.15 -1.14 0.00 0.00 176.83 177.03 3a79 h PHE 266 N 0.98 0.86 -0.27 3.45 3.57 -1.49 0.11 116.94 124.15 3a79 h PHE 266 Ca 0.25 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.73 3a79 h PHE 266 Cb 0.01 -0.28 -0.02 0.00 2.79 0.00 0.00 35.95 38.45 3a79 h PHE 266 CO 0.01 0.48 -0.04 -0.91 -2.23 0.00 0.00 178.31 175.61 3a79 h ASN 267 N 0.89 0.39 0.00 0.41 2.35 -1.30 -2.12 115.58 116.20 3a79 h ASN 267 Ca 0.30 -0.07 -0.08 0.00 -0.55 0.00 0.00 56.30 55.90 3a79 h ASN 267 Cb 0.04 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.30 3a79 h ASN 267 CO -0.12 0.49 -0.64 -0.33 -1.65 0.00 0.00 177.43 175.18 3a79 h GLU 268 N 0.40 0.00 -0.89 0.81 4.39 -1.22 -3.36 114.58 114.71 3a79 h GLU 268 Ca 0.09 0.00 0.23 0.00 0.34 0.00 0.00 59.36 60.01 3a79 h GLU 268 Cb 0.34 0.00 -0.13 0.00 -0.10 0.00 0.00 28.75 28.86 3a79 h GLU 268 CO 0.01 0.47 0.36 -0.07 -1.16 0.00 0.00 179.01 178.62 3a79 h LEU 269 N -1.00 0.26 -2.15 1.33 3.38 -1.04 0.40 115.31 116.49 3a79 h LEU 269 Ca -0.12 0.16 0.06 0.00 0.09 0.00 0.00 57.88 58.07 3a79 h LEU 269 Cb 0.77 0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.68 3a79 h LEU 269 CO -0.07 -0.04 0.18 0.25 0.09 0.00 0.00 178.44 178.84 3a79 h LEU 270 N 0.35 0.00 -1.71 1.67 6.46 -1.56 0.13 115.31 120.65 3a79 h LEU 270 Ca 0.56 0.00 -0.00 0.00 -0.12 0.00 0.00 57.88 58.32 3a79 h LEU 270 Cb 1.09 0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 41.02 3a79 h LEU 270 CO -0.56 0.00 -0.02 0.11 -0.62 0.00 0.00 178.44 177.35 3a79 h LYS 271 N 0.00 0.00 -0.05 1.25 1.57 -0.34 -3.09 116.57 115.91 3a79 h LYS 271 Ca 0.10 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.77 3a79 h LYS 271 Cb 0.46 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.75 3a79 h LYS 271 CO -0.00 0.02 -0.46 -0.07 -0.57 0.00 0.00 179.45 178.37 3a79 h LEU 272 N 0.00 0.12 -2.22 2.94 3.38 -0.74 -3.03 115.31 115.76 3a79 h LEU 272 Ca -0.00 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.92 3a79 h LEU 272 Cb 0.43 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.15 3a79 h LEU 272 CO 0.00 0.56 0.00 -0.07 0.09 0.00 0.00 178.44 179.03 3a79 h LEU 273 N 0.09 0.00 -2.58 1.67 3.38 -1.65 -1.16 115.31 115.06 3a79 h LEU 273 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3a79 h LEU 273 Cb 0.85 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.60 3a79 h LEU 273 CO 0.06 0.00 0.00 0.03 0.09 0.00 0.00 178.44 178.62 3a79 h ARG 274 N 0.00 0.00 0.00 1.13 3.08 -1.74 -2.51 114.38 114.34 3a79 h ARG 274 Ca 0.00 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 3a79 h ARG 274 Cb 0.06 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.10 3a79 h ARG 274 CO 0.00 0.00 -1.81 0.66 -1.07 0.00 0.00 179.97 177.75 3a79 n TYR 275 N -3.08 0.21 -3.39 3.04 4.02 -0.44 -4.58 117.16 112.94 3a79 n TYR 275 Ca -0.02 0.06 -0.31 0.00 -0.01 0.00 0.00 57.90 57.62 3a79 n TYR 275 Cb 0.13 -0.62 -0.06 0.00 -0.02 0.00 0.00 39.34 38.77 3a79 n TYR 275 CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 176.86 176.29 3a79 n ILE 276 N -2.37 3.00 0.25 -0.72 -5.35 -0.95 -4.28 119.36 108.94 3a79 n ILE 276 Ca -0.04 -5.34 0.08 0.00 -0.27 0.00 0.00 62.75 57.18 3a79 n ILE 276 Cb 0.59 -2.13 0.61 0.00 -1.74 0.00 0.00 39.64 36.98 3a79 n ILE 276 CO 0.00 0.00 0.00 -0.07 -1.76 0.00 0.00 176.55 174.72 3a79 h LEU 277 N 4.69 0.00 0.00 7.28 3.38 -1.81 -2.53 115.31 126.32 3a79 h LEU 277 Ca 0.19 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.16 3a79 h LEU 277 Cb 0.67 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.42 3a79 h LEU 277 CO 0.94 0.10 -0.18 -0.62 0.09 0.00 0.00 178.44 178.77 3a79 n GLU 278 N -4.25 0.09 -1.52 1.13 -0.58 -1.26 -3.92 120.64 110.32 3a79 n GLU 278 Ca -0.03 0.05 -0.48 0.00 -0.42 0.00 0.00 57.16 56.29 3a79 n GLU 278 Cb 0.18 -1.58 -0.03 0.00 -0.57 0.00 0.00 31.44 29.44 3a79 n GLU 278 CO 0.00 0.00 0.00 -0.11 -0.48 0.00 0.00 177.13 176.54 3a79 n LEU 279 N -1.73 0.57 0.00 -4.62 0.00 -0.96 -4.75 117.00 105.52 3a79 n LEU 279 Ca 0.06 1.15 0.00 0.00 0.00 0.00 0.00 56.01 57.22 3a79 n LEU 279 Cb 0.37 -1.13 0.00 0.00 0.00 0.00 0.00 43.42 42.66 3a79 n LEU 279 CO 0.30 -1.94 0.07 -1.54 0.00 0.00 0.00 177.39 174.28 3a79 n SER 280 N 1.71 0.25 -3.68 1.96 3.41 -0.68 -2.13 113.62 114.47 3a79 n SER 280 Ca 0.15 -1.01 -0.09 0.00 -0.26 0.00 0.00 58.87 57.66 3a79 n SER 280 Cb 0.26 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.11 3a79 n SER 280 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 3a79 s GLU 281 N -0.01 0.40 -0.05 4.33 2.12 -0.98 -2.19 118.70 122.32 3a79 s GLU 281 Ca 0.00 0.91 0.04 0.00 0.36 0.00 0.00 54.97 56.28 3a79 s GLU 281 Cb 0.00 0.11 -0.02 0.00 0.26 0.00 0.00 34.13 34.47 3a79 s GLU 281 CO 0.00 -0.19 -0.16 0.08 -0.54 0.00 0.00 175.26 174.45 3a79 s VAL 282 N 1.81 2.87 0.01 3.70 1.01 -0.71 -1.42 120.40 127.66 3a79 s VAL 282 Ca -0.07 -0.79 0.02 0.00 0.00 0.00 0.00 61.98 61.14 3a79 s VAL 282 Cb -0.09 -2.11 -0.01 0.00 0.00 0.00 0.00 36.38 34.17 3a79 s VAL 282 CO -0.13 0.58 -0.06 -0.70 0.00 0.00 0.00 175.10 174.79 3a79 s GLU 283 N -0.60 0.49 -0.14 2.72 2.12 0.11 -0.40 118.70 123.01 3a79 s GLU 283 Ca 0.09 -0.33 -0.00 0.00 0.36 0.00 0.00 54.97 55.08 3a79 s GLU 283 Cb -0.11 -0.43 0.03 0.00 0.26 0.00 0.00 34.13 33.88 3a79 s GLU 283 CO 0.01 0.11 -0.07 -0.06 -0.54 0.00 0.00 175.26 174.71 3a79 s PHE 284 N -0.41 1.64 0.00 5.30 0.08 0.32 -0.30 117.98 124.61 3a79 s PHE 284 Ca -0.00 -0.94 0.00 0.00 0.12 0.00 0.00 56.93 56.11 3a79 s PHE 284 Cb -0.04 -1.30 0.00 0.00 -0.57 0.00 0.00 43.02 41.11 3a79 s PHE 284 CO -0.00 -0.57 0.00 -0.25 -0.10 0.00 0.00 175.22 174.30 3a79 n ASP 285 N 4.90 0.00 -3.67 1.36 9.92 0.16 -0.99 116.55 128.22 3a79 n ASP 285 Ca -0.13 0.00 -0.42 0.00 -0.53 0.00 0.00 54.79 53.72 3a79 n ASP 285 Cb 0.49 0.00 -0.09 0.00 -0.64 0.00 0.00 41.12 40.88 3a79 n ASP 285 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 3a79 n ASP 286 N 0.00 1.77 -4.67 -2.24 8.00 -0.51 -4.23 116.55 114.67 3a79 n ASP 286 Ca 0.00 -2.59 -0.32 0.00 0.71 0.00 0.00 54.79 52.59 3a79 n ASP 286 Cb 0.00 -0.90 -0.09 0.00 -0.02 0.00 0.00 41.12 40.11 3a79 n ASP 286 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3a79 s THR 288 N -1.10 5.25 -0.56 0.00 2.01 0.17 -0.46 115.64 120.94 3a79 s THR 288 Ca 0.20 0.14 -0.11 0.00 0.31 0.00 0.00 61.69 62.23 3a79 s THR 288 Cb -0.11 -3.43 0.14 0.00 0.01 0.00 0.00 72.50 69.10 3a79 s THR 288 CO 0.11 0.37 0.46 -0.22 -0.69 0.00 0.00 174.62 174.65 3a79 s LEU 289 N 0.90 5.93 -1.32 4.42 2.96 0.80 -0.21 118.68 132.15 3a79 s LEU 289 Ca 0.07 -2.13 -0.17 0.00 -0.22 0.00 0.00 54.13 51.68 3a79 s LEU 289 Cb -0.13 -2.07 0.04 0.00 0.50 0.00 0.00 46.19 44.54 3a79 s LEU 289 CO 0.03 -0.67 1.89 0.59 -1.32 0.00 0.00 176.35 176.87 3a79 n ASN 290 N 4.66 4.45 -0.91 3.68 3.02 -0.41 -4.17 115.26 125.58 3a79 n ASN 290 Ca -0.04 -2.88 0.00 0.00 -0.03 0.00 0.00 54.58 51.64 3a79 n ASN 290 Cb 0.41 -1.71 0.00 0.00 -0.61 0.00 0.00 39.78 37.88 3a79 n ASN 290 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3a79 n GLY 291 N 5.04 0.50 0.50 7.41 0.00 -1.26 -4.21 105.19 113.17 3a79 n GLY 291 Ca 0.50 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.72 3a79 n GLY 291 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3a79 n LEU 292 N 0.00 0.00 -0.15 0.99 4.77 -1.26 -4.76 117.00 116.59 3a79 n LEU 292 Ca 0.00 -1.00 -0.02 0.00 -0.03 0.00 0.00 56.01 54.96 3a79 n LEU 292 Cb 0.00 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.08 3a79 n LEU 292 CO 0.00 0.64 -0.02 0.61 -1.33 0.00 0.00 177.39 177.29 3a79 n GLY 293 N 0.00 0.54 2.71 -0.72 0.00 -1.26 -0.23 105.19 106.23 3a79 n GLY 293 Ca 0.00 -0.92 -0.40 0.00 0.00 0.00 0.00 46.02 44.70 3a79 n GLY 293 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3a79 n ASP 294 N 1.54 4.63 -4.73 1.61 4.64 -1.26 -4.53 116.55 118.45 3a79 n ASP 294 Ca -0.02 -2.71 -0.40 0.00 -1.38 0.00 0.00 54.79 50.28 3a79 n ASP 294 Cb 0.07 -1.48 -0.05 0.00 -1.04 0.00 0.00 41.12 38.62 3a79 n ASP 294 CO 0.00 0.00 0.00 -0.36 -0.82 0.00 0.00 177.20 176.02 3a79 s PHE 295 N 3.39 3.63 -0.65 -0.67 2.99 -1.26 -4.81 117.98 120.60 3a79 s PHE 295 Ca 0.53 1.28 0.05 0.00 0.00 0.00 0.00 56.93 58.79 3a79 s PHE 295 Cb 0.15 -2.77 0.17 0.00 0.00 0.00 0.00 43.02 40.57 3a79 s PHE 295 CO -0.04 0.18 0.47 0.09 -0.00 0.00 0.00 175.22 175.93 3a79 n ASN 296 N 3.37 2.40 -4.70 1.36 3.02 -1.26 -4.70 115.26 114.75 3a79 n ASN 296 Ca -0.03 -3.07 -0.42 0.00 -0.03 0.00 0.00 54.58 51.04 3a79 n ASN 296 Cb 0.51 -0.72 -0.03 0.00 -0.61 0.00 0.00 39.78 38.93 3a79 n ASN 296 CO 0.00 0.00 0.00 -2.84 -2.62 0.00 0.00 177.26 171.80 3a79 s PRO 297 N -1.21 4.24 0.69 3.52 0.02 -1.26 -4.85 135.00 136.15 3a79 s PRO 297 Ca 0.27 2.22 -0.17 0.00 0.02 0.00 0.00 61.00 63.33 3a79 s PRO 297 Cb -0.02 -3.42 -0.11 0.00 0.02 0.00 0.00 34.50 30.97 3a79 s PRO 297 CO -0.17 -0.62 0.00 0.43 -0.33 0.00 0.00 177.00 176.31 3a79 n SER 298 N 4.85 -3.14 0.09 2.53 7.64 -1.26 -4.79 113.62 119.53 3a79 n SER 298 Ca 0.14 0.53 -0.04 0.00 1.01 0.00 0.00 58.87 60.51 3a79 n SER 298 Cb 0.41 -0.98 -0.01 0.00 -1.01 0.00 0.00 64.21 62.62 3a79 n SER 298 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 3a79 h GLU 299 N -0.35 0.00 -0.37 1.43 4.39 -2.00 -2.92 114.58 114.75 3a79 h GLU 299 Ca -0.43 0.00 0.08 0.00 0.34 0.00 0.00 59.36 59.34 3a79 h GLU 299 Cb 1.38 0.00 -0.07 0.00 -0.10 0.00 0.00 28.75 29.95 3a79 h GLU 299 CO 0.38 0.84 -0.12 0.77 -1.16 0.00 0.00 179.01 179.72 3a79 h SER 300 N 0.00 -0.42 -0.04 1.42 0.02 -2.01 -2.47 113.55 110.05 3a79 h SER 300 Ca -0.01 0.12 -0.06 0.00 -0.84 0.00 0.00 61.79 61.01 3a79 h SER 300 Cb 1.51 0.26 -0.01 0.00 0.14 0.00 0.00 62.40 64.30 3a79 h SER 300 CO 0.11 -0.15 -0.13 0.44 -1.14 0.00 0.00 176.83 175.96 3a79 h ASP 301 N -0.04 0.32 0.95 3.07 3.32 -1.87 -2.97 116.42 119.20 3a79 h ASP 301 Ca 0.18 -0.07 -0.16 0.00 0.02 0.00 0.00 57.03 57.00 3a79 h ASP 301 Cb 0.31 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 39.76 3a79 h ASP 301 CO -0.41 0.48 -0.75 0.58 -1.72 0.00 0.00 179.24 177.43 3a79 h VAL 302 N 0.32 1.42 -0.22 -1.35 2.07 -1.30 -2.75 116.25 114.43 3a79 h VAL 302 Ca 0.06 -2.67 -0.07 0.00 0.82 0.00 0.00 66.70 64.85 3a79 h VAL 302 Cb 0.43 2.49 -0.01 0.00 -1.52 0.00 0.00 31.29 32.67 3a79 h VAL 302 CO 0.02 0.73 -0.15 0.58 0.02 0.00 0.00 177.57 178.78 3a79 h VAL 303 N 0.00 1.22 0.00 2.57 2.07 -1.32 -3.01 116.25 117.78 3a79 h VAL 303 Ca -0.01 -0.98 -0.01 0.00 0.82 0.00 0.00 66.70 66.53 3a79 h VAL 303 Cb 1.43 1.22 -0.00 0.00 -1.52 0.00 0.00 31.29 32.41 3a79 h VAL 303 CO 0.10 0.31 -0.04 0.28 0.02 0.00 0.00 177.57 178.24 3a79 h SER 304 N 0.35 0.00 -6.40 0.57 0.02 -1.38 -3.47 113.55 103.23 3a79 h SER 304 Ca 0.06 0.00 -0.49 0.00 -0.84 0.00 0.00 61.79 60.52 3a79 h SER 304 Cb 0.48 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 62.95 3a79 h SER 304 CO 0.03 0.04 -0.79 -0.62 -1.14 0.00 0.00 176.83 174.34 3a79 n GLU 305 N -3.21 -4.72 -2.07 3.45 1.02 -1.14 -1.25 120.64 112.73 3a79 n GLU 305 Ca -0.01 0.53 -0.17 0.00 -0.02 0.00 0.00 57.16 57.49 3a79 n GLU 305 Cb 0.24 -5.28 -0.03 0.00 -0.02 0.00 0.00 31.44 26.35 3a79 n GLU 305 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3a79 n LEU 306 N -4.55 -1.62 0.00 -4.62 4.77 -1.22 -4.66 117.00 105.10 3a79 n LEU 306 Ca -0.01 0.12 0.00 0.00 -0.03 0.00 0.00 56.01 56.09 3a79 n LEU 306 Cb 0.55 -2.49 0.00 0.00 -2.33 0.00 0.00 43.42 39.14 3a79 n LEU 306 CO 0.77 -0.41 0.00 0.61 -1.33 0.00 0.00 177.39 177.04 3a79 n GLY 307 N -0.97 3.22 1.23 -0.72 0.00 -0.38 -1.92 105.19 105.65 3a79 n GLY 307 Ca -0.19 0.05 0.09 0.00 0.00 0.00 0.00 46.02 45.96 3a79 n GLY 307 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3a79 n LYS 308 N 14.00 2.79 -2.12 1.61 5.02 -1.25 -4.90 118.16 133.31 3a79 n LYS 308 Ca 0.00 -2.26 -0.43 0.00 -2.02 0.00 0.00 58.31 53.60 3a79 n LYS 308 Cb 0.00 -1.61 -0.03 0.00 -0.02 0.00 0.00 35.03 33.37 3a79 n LYS 308 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3a79 s VAL 309 N -1.46 3.61 -0.13 -0.18 1.01 -0.81 -4.20 120.40 118.23 3a79 s VAL 309 Ca 0.41 0.60 0.16 0.00 0.00 0.00 0.00 61.98 63.16 3a79 s VAL 309 Cb 0.24 -3.86 -0.24 0.00 0.00 0.00 0.00 36.38 32.52 3a79 s VAL 309 CO 0.24 -0.58 0.35 -0.62 0.00 0.00 0.00 175.10 174.49 3a79 n GLU 310 N 8.38 0.66 -4.72 2.72 -0.58 -0.93 -4.43 120.64 121.73 3a79 n GLU 310 Ca 0.20 0.10 -0.25 0.00 -0.42 0.00 0.00 57.16 56.79 3a79 n GLU 310 Cb 0.48 -1.63 -0.16 0.00 -0.57 0.00 0.00 31.44 29.55 3a79 n GLU 310 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 3a79 s THR 311 N -2.60 1.30 -0.10 2.62 2.01 -1.06 -0.37 115.64 117.43 3a79 s THR 311 Ca -0.08 -0.61 0.01 0.00 0.31 0.00 0.00 61.69 61.33 3a79 s THR 311 Cb 0.07 -1.15 0.02 0.00 0.01 0.00 0.00 72.50 71.45 3a79 s THR 311 CO 0.83 0.39 -0.13 -0.69 -0.69 0.00 0.00 174.62 174.33 3a79 s VAL 312 N 0.36 1.32 -0.12 3.82 1.01 0.19 -1.74 120.40 125.23 3a79 s VAL 312 Ca -0.10 -0.53 -0.00 0.00 0.00 0.00 0.00 61.98 61.35 3a79 s VAL 312 Cb -0.14 -1.23 0.03 0.00 0.00 0.00 0.00 36.38 35.04 3a79 s VAL 312 CO 0.03 0.41 -0.07 -0.89 0.00 0.00 0.00 175.10 174.58 3a79 s THR 313 N 1.10 1.04 -0.20 3.92 2.01 0.46 -1.04 115.64 122.92 3a79 s THR 313 Ca -0.05 -0.32 0.01 0.00 0.31 0.00 0.00 61.69 61.64 3a79 s THR 313 Cb -0.14 -1.07 0.03 0.00 0.01 0.00 0.00 72.50 71.32 3a79 s THR 313 CO -0.02 0.35 -0.17 -0.63 -0.69 0.00 0.00 174.62 173.46 3a79 s ILE 314 N 1.70 2.15 -0.10 1.82 1.01 0.27 -0.52 121.20 127.53 3a79 s ILE 314 Ca 0.05 -1.09 0.04 0.00 0.00 0.00 0.00 60.65 59.65 3a79 s ILE 314 Cb -0.13 -2.00 0.00 0.00 0.01 0.00 0.00 42.46 40.35 3a79 s ILE 314 CO -0.08 0.40 -0.23 -0.13 0.00 0.00 0.00 174.94 174.90 3a79 s ARG 315 N 1.25 2.89 -1.26 2.79 0.52 -0.16 -0.71 118.95 124.27 3a79 s ARG 315 Ca 0.02 -0.82 -0.13 0.00 -0.52 0.00 0.00 55.73 54.27 3a79 s ARG 315 Cb -0.15 -2.19 0.00 0.00 0.52 0.00 0.00 34.95 33.13 3a79 s ARG 315 CO -0.11 0.16 0.61 0.54 0.02 0.00 0.00 175.30 176.53 3a79 n ARG 316 N 3.56 -2.05 -2.93 3.54 1.74 -0.38 -3.53 116.66 116.60 3a79 n ARG 316 Ca -0.19 0.40 -0.43 0.00 -0.77 0.00 0.00 57.85 56.86 3a79 n ARG 316 Cb 0.53 -4.15 -0.05 0.00 -1.02 0.00 0.00 32.46 27.77 3a79 n ARG 316 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 3a79 s LEU 317 N -6.79 4.15 -0.21 0.55 2.96 -1.25 -3.08 118.68 115.01 3a79 s LEU 317 Ca 0.27 0.16 -0.23 0.00 -0.22 0.00 0.00 54.13 54.10 3a79 s LEU 317 Cb -0.10 -3.04 -0.01 0.00 0.50 0.00 0.00 46.19 43.53 3a79 s LEU 317 CO 0.88 -0.86 0.76 -2.28 -1.32 0.00 0.00 176.35 173.53 3a79 s HIS 318 N 3.30 3.35 -0.35 5.38 5.65 0.39 -4.61 115.29 128.40 3a79 s HIS 318 Ca 0.32 1.08 0.02 0.00 0.25 0.00 0.00 55.06 56.72 3a79 s HIS 318 Cb -0.12 -2.95 0.11 0.00 -1.18 0.00 0.00 32.58 28.43 3a79 s HIS 318 CO 0.21 -0.29 0.10 0.42 -0.65 0.00 0.00 174.74 174.53 3a79 s ILE 319 N 2.39 1.56 0.27 0.89 1.01 -1.26 -0.14 121.20 125.90 3a79 s ILE 319 Ca 0.33 -1.99 -0.08 0.00 0.00 0.00 0.00 60.65 58.91 3a79 s ILE 319 Cb -0.16 -2.15 0.39 0.00 0.01 0.00 0.00 42.46 40.55 3a79 s ILE 319 CO 0.10 -0.68 1.58 -0.65 0.00 0.00 0.00 174.94 175.29 3a79 h PRO 320 N 7.67 0.01 -1.97 2.79 0.11 -1.88 0.11 132.00 138.84 3a79 h PRO 320 Ca -0.08 -0.00 -0.68 0.00 0.11 0.00 0.00 66.00 65.35 3a79 h PRO 320 Cb 1.00 -0.00 -0.35 0.00 0.11 0.00 0.00 31.00 31.75 3a79 h PRO 320 CO 0.50 0.01 0.07 1.04 -0.21 0.00 0.00 178.00 179.41 3a79 n GLN 321 N -5.55 3.61 -0.35 1.05 6.02 -1.26 -4.87 117.38 116.04 3a79 n GLN 321 Ca 0.15 -4.39 0.27 0.00 -0.01 0.00 0.00 57.00 53.02 3a79 n GLN 321 Cb 0.49 -2.30 0.55 0.00 1.02 0.00 0.00 30.24 30.01 3a79 n GLN 321 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 177.06 176.32 3a79 h PHE 322 N 3.10 0.60 0.00 1.08 -5.15 -1.32 0.39 116.94 115.64 3a79 h PHE 322 Ca 0.37 0.02 0.00 0.00 -0.20 0.00 0.00 57.97 58.16 3a79 h PHE 322 Cb 0.48 -0.17 0.00 0.00 0.22 0.00 0.00 35.95 36.48 3a79 h PHE 322 CO 1.01 -0.02 0.00 0.10 -2.00 0.00 0.00 178.31 177.41 3a79 h TYR 323 N 0.30 0.00 -0.58 6.09 -0.00 -1.89 -2.58 116.97 118.30 3a79 h TYR 323 Ca 0.65 0.00 0.00 0.00 0.00 0.00 0.00 58.73 59.38 3a79 h TYR 323 Cb 1.81 0.00 0.00 0.00 0.00 0.00 0.00 36.73 38.54 3a79 h TYR 323 CO -0.00 0.00 0.00 1.28 -0.00 0.00 0.00 178.16 179.44 3a79 n LEU 324 N -2.40 4.26 -4.77 0.10 4.77 0.13 -4.99 117.00 114.11 3a79 n LEU 324 Ca 0.02 -2.15 -0.40 0.00 -0.03 0.00 0.00 56.01 53.45 3a79 n LEU 324 Cb 0.23 -0.54 -0.01 0.00 -2.33 0.00 0.00 43.42 40.76 3a79 n LEU 324 CO 0.21 0.74 0.96 0.12 -1.33 0.00 0.00 177.39 178.09 3a79 s PHE 325 N -1.79 2.96 0.99 -1.77 5.36 -0.97 -4.94 117.98 117.81 3a79 s PHE 325 Ca 0.45 1.42 -0.15 0.00 -0.96 0.00 0.00 56.93 57.70 3a79 s PHE 325 Cb 0.29 -3.66 0.18 0.00 -0.34 0.00 0.00 43.02 39.49 3a79 s PHE 325 CO 0.22 -1.93 1.17 0.71 -1.46 0.00 0.00 175.22 173.94 3a79 s TYR 326 N -1.20 1.86 0.54 10.12 1.51 0.67 -4.92 117.35 125.94 3a79 s TYR 326 Ca 0.52 0.65 0.34 0.00 -1.01 0.00 0.00 57.07 57.57 3a79 s TYR 326 Cb -0.39 -3.57 1.51 0.00 -0.11 0.00 0.00 41.96 39.41 3a79 s TYR 326 CO 0.51 -2.76 1.85 0.22 -1.11 0.00 0.00 175.55 174.26 3a79 h ASP 327 N -1.77 0.00 -2.81 2.29 1.82 -1.89 -3.45 116.42 110.61 3a79 h ASP 327 Ca -0.48 0.00 -0.35 0.00 -0.39 0.00 0.00 57.03 55.81 3a79 h ASP 327 Cb 1.30 0.00 -0.00 0.00 0.68 0.00 0.00 39.33 41.31 3a79 h ASP 327 CO 0.50 0.00 -0.47 -0.11 -1.61 0.00 0.00 179.24 177.56 3a79 n LEU 328 N -4.22 -1.96 -0.12 2.28 7.94 -1.26 -4.85 117.00 114.81 3a79 n LEU 328 Ca 0.21 -0.06 0.12 0.00 -1.11 0.00 0.00 56.01 55.17 3a79 n LEU 328 Cb 1.08 -2.59 0.18 0.00 0.53 0.00 0.00 43.42 42.62 3a79 n LEU 328 CO 0.39 -0.11 0.39 -1.54 -1.11 0.00 0.00 177.39 175.42 3a79 n SER 329 N -1.50 0.91 0.00 1.96 3.41 -1.26 -3.66 113.62 113.49 3a79 n SER 329 Ca -0.19 -0.71 0.10 0.00 -0.26 0.00 0.00 58.87 57.81 3a79 n SER 329 Cb 0.65 0.40 0.45 0.00 -0.26 0.00 0.00 64.21 65.45 3a79 n SER 329 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3a79 n THR 330 N -1.11 0.54 -0.90 6.66 -2.24 -1.26 -2.99 114.28 112.98 3a79 n THR 330 Ca 0.07 0.14 0.08 0.00 -2.27 0.00 0.00 64.05 62.07 3a79 n THR 330 Cb 0.35 -0.77 0.14 0.00 -2.10 0.00 0.00 70.33 67.95 3a79 n THR 330 CO 0.00 0.00 0.00 1.33 -0.57 0.00 0.00 175.07 175.83 3a79 n VAL 331 N -1.50 1.80 0.18 2.28 0.24 -1.24 -4.74 118.33 115.34 3a79 n VAL 331 Ca 0.05 -2.03 0.02 0.00 -2.04 0.00 0.00 64.34 60.35 3a79 n VAL 331 Cb 0.25 -0.13 0.32 0.00 -1.47 0.00 0.00 33.84 32.81 3a79 n VAL 331 CO 0.00 0.00 0.00 1.88 -2.14 0.00 0.00 176.83 176.57 3a79 h TYR 332 N 0.27 0.00 0.20 6.34 0.05 -1.70 -3.07 116.97 119.06 3a79 h TYR 332 Ca 0.00 0.00 -0.34 0.00 0.05 0.00 0.00 58.73 58.44 3a79 h TYR 332 Cb 0.98 0.00 0.02 0.00 1.01 0.00 0.00 36.73 38.74 3a79 h TYR 332 CO 0.07 0.43 -1.61 0.77 -1.05 0.00 0.00 178.16 176.76 3a79 h SER 333 N 0.00 0.67 -0.62 3.88 0.02 -1.85 -3.35 113.55 112.30 3a79 h SER 333 Ca -0.00 -0.93 0.18 0.00 -0.84 0.00 0.00 61.79 60.20 3a79 h SER 333 Cb 0.78 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 63.08 3a79 h SER 333 CO 0.06 1.74 0.49 0.25 -1.14 0.00 0.00 176.83 178.23 3a79 h LEU 334 N 0.07 0.00 -3.08 5.07 5.85 -1.73 -2.88 115.31 118.60 3a79 h LEU 334 Ca -0.31 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.41 3a79 h LEU 334 Cb 2.08 0.00 0.00 0.00 0.37 0.00 0.00 40.66 43.11 3a79 h LEU 334 CO 0.20 0.00 0.00 0.18 -0.34 0.00 0.00 178.44 178.48 3a79 n LEU 335 N -4.16 3.51 0.31 2.25 4.77 -1.18 -3.45 117.00 119.05 3a79 n LEU 335 Ca 0.12 -2.50 0.19 0.00 -0.03 0.00 0.00 56.01 53.80 3a79 n LEU 335 Cb 0.73 -0.40 0.94 0.00 -2.33 0.00 0.00 43.42 42.36 3a79 n LEU 335 CO 0.35 0.71 1.08 -0.33 -1.33 0.00 0.00 177.39 177.87 3a79 h GLU 336 N 2.08 0.00 0.00 3.23 5.08 -1.66 -3.10 114.58 120.21 3a79 h GLU 336 Ca 0.00 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.16 3a79 h GLU 336 Cb 1.12 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.33 3a79 h GLU 336 CO 0.12 0.01 -2.17 1.17 -1.00 0.00 0.00 179.01 177.14 3a79 n LYS 337 N -3.14 0.74 -1.74 2.33 0.00 -1.26 -2.73 118.16 112.35 3a79 n LYS 337 Ca -0.01 -0.09 -0.40 0.00 0.00 0.00 0.00 58.31 57.81 3a79 n LYS 337 Cb 0.19 -1.50 0.02 0.00 0.00 0.00 0.00 35.03 33.74 3a79 n LYS 337 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.40 178.95 3a79 n VAL 338 N -2.51 3.01 -0.04 3.15 3.14 -1.17 -4.76 118.33 119.15 3a79 n VAL 338 Ca -0.20 -0.50 -0.04 0.00 -2.96 0.00 0.00 64.34 60.64 3a79 n VAL 338 Cb 0.88 -1.73 -0.07 0.00 -1.06 0.00 0.00 33.84 31.86 3a79 n VAL 338 CO 0.00 0.00 0.00 0.29 -6.46 0.00 0.00 176.83 170.66 3a79 n LYS 339 N -0.35 2.41 -3.98 1.45 5.02 0.50 -3.23 118.16 119.97 3a79 n LYS 339 Ca 0.07 0.00 -0.28 0.00 -2.02 0.00 0.00 58.31 56.08 3a79 n LYS 339 Cb 0.42 -1.22 -0.17 0.00 -0.02 0.00 0.00 35.03 34.04 3a79 n LYS 339 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 3a79 s ARG 340 N -2.21 1.94 -0.10 1.97 0.52 -0.66 -0.19 118.95 120.22 3a79 s ARG 340 Ca -0.05 -0.42 0.03 0.00 -0.52 0.00 0.00 55.73 54.77 3a79 s ARG 340 Cb 0.03 -1.86 -0.01 0.00 0.52 0.00 0.00 34.95 33.63 3a79 s ARG 340 CO 0.34 -0.25 -0.20 0.42 0.02 0.00 0.00 175.30 175.63 3a79 s ILE 341 N 1.58 2.46 -0.11 1.52 1.01 -0.76 -0.64 121.20 126.26 3a79 s ILE 341 Ca 0.05 -0.89 0.02 0.00 0.00 0.00 0.00 60.65 59.83 3a79 s ILE 341 Cb -0.13 -1.97 0.01 0.00 0.01 0.00 0.00 42.46 40.39 3a79 s ILE 341 CO -0.09 0.55 -0.18 -0.89 0.00 0.00 0.00 174.94 174.33 3a79 s THR 342 N 0.14 1.69 -0.36 2.92 2.01 -0.21 -1.77 115.64 120.06 3a79 s THR 342 Ca -0.11 -0.77 -0.00 0.00 0.31 0.00 0.00 61.69 61.12 3a79 s THR 342 Cb -0.16 -1.51 0.14 0.00 0.01 0.00 0.00 72.50 70.98 3a79 s THR 342 CO 0.06 0.48 0.21 -0.69 -0.69 0.00 0.00 174.62 173.99 3a79 s VAL 343 N 0.76 0.27 -0.10 3.82 1.01 -0.52 0.95 120.40 126.59 3a79 s VAL 343 Ca -0.11 -1.74 -0.01 0.00 0.00 0.00 0.00 61.98 60.13 3a79 s VAL 343 Cb -0.16 -1.21 -0.03 0.00 0.00 0.00 0.00 36.38 34.98 3a79 s VAL 343 CO 0.01 -0.96 -0.04 -0.70 0.00 0.00 0.00 175.10 173.42 3a79 s GLU 344 N 1.07 3.07 -1.25 2.72 2.12 0.12 -4.21 118.70 122.34 3a79 s GLU 344 Ca 0.17 -0.50 -0.16 0.00 0.36 0.00 0.00 54.97 54.84 3a79 s GLU 344 Cb -0.23 -2.74 0.00 0.00 0.26 0.00 0.00 34.13 31.43 3a79 s GLU 344 CO -0.02 0.56 0.63 -1.71 -0.54 0.00 0.00 175.26 174.19 3a79 n ASN 345 N 2.55 -3.35 0.00 -1.70 5.15 -0.73 -1.25 115.26 115.92 3a79 n ASN 345 Ca -0.18 -1.07 0.00 0.00 -0.60 0.00 0.00 54.58 52.73 3a79 n ASN 345 Cb 0.53 -2.93 0.00 0.00 -0.53 0.00 0.00 39.78 36.85 3a79 n ASN 345 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 3a79 n SER 346 N -2.69 0.73 -0.48 1.20 7.64 -1.26 -3.29 113.62 115.47 3a79 n SER 346 Ca -0.17 -1.35 -0.04 0.00 1.01 0.00 0.00 58.87 58.32 3a79 n SER 346 Cb 0.62 0.00 -0.00 0.00 -1.01 0.00 0.00 64.21 63.82 3a79 n SER 346 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 3a79 n LYS 347 N -0.17 -0.34 -1.89 1.43 5.02 -1.26 -4.83 118.16 116.12 3a79 n LYS 347 Ca 0.00 0.24 -0.42 0.00 -2.02 0.00 0.00 58.31 56.11 3a79 n LYS 347 Cb 0.38 -3.98 -0.03 0.00 -0.02 0.00 0.00 35.03 31.38 3a79 n LYS 347 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3a79 s VAL 348 N -2.21 2.88 0.00 -0.18 1.01 -1.26 -4.70 120.40 115.94 3a79 s VAL 348 Ca 0.00 0.40 0.00 0.00 0.00 0.00 0.00 61.98 62.38 3a79 s VAL 348 Cb 0.00 -3.26 0.00 0.00 0.00 0.00 0.00 36.38 33.12 3a79 s VAL 348 CO 0.00 0.00 0.24 2.22 0.00 0.00 0.00 175.10 177.56 3a79 n PHE 349 N 5.38 0.00 -3.61 5.22 1.16 -1.26 -0.61 117.46 123.73 3a79 n PHE 349 Ca 0.16 0.00 -0.01 0.00 -1.87 0.00 0.00 57.45 55.73 3a79 n PHE 349 Cb 0.40 0.00 -0.06 0.00 -1.61 0.00 0.00 39.48 38.21 3a79 n PHE 349 CO 0.00 0.00 0.00 -1.17 -1.87 0.00 0.00 176.76 173.72 3a79 s LEU 350 N -0.70 -0.46 -0.50 5.98 2.96 -1.26 -4.66 118.68 120.04 3a79 s LEU 350 Ca 0.00 0.72 -0.16 0.00 -0.22 0.00 0.00 54.13 54.47 3a79 s LEU 350 Cb 0.00 1.65 0.09 0.00 0.50 0.00 0.00 46.19 48.43 3a79 s LEU 350 CO 0.00 -0.11 0.43 -0.69 -1.32 0.00 0.00 176.35 174.66 3a79 s VAL 351 N 1.43 5.21 0.03 1.68 1.01 -1.26 -5.05 120.40 123.45 3a79 s VAL 351 Ca -0.08 -1.23 -0.37 0.00 0.00 0.00 0.00 61.98 60.30 3a79 s VAL 351 Cb -0.04 -4.19 -0.16 0.00 0.00 0.00 0.00 36.38 31.99 3a79 s VAL 351 CO -0.15 -0.68 1.42 -2.65 0.00 0.00 0.00 175.10 173.04 3a79 n PRO 352 N 5.21 1.20 -0.31 2.72 -0.02 -1.26 -3.76 135.00 138.78 3a79 n PRO 352 Ca -0.13 0.44 0.07 0.00 -2.02 0.00 0.00 63.50 61.85 3a79 n PRO 352 Cb 0.42 -2.09 0.15 0.00 -0.02 0.00 0.00 33.50 31.96 3a79 n PRO 352 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3a79 h SER 354 N 0.00 0.61 -0.12 0.00 0.87 -1.90 -0.06 113.55 112.95 3a79 h SER 354 Ca 0.44 -0.00 0.05 0.00 -1.23 0.00 0.00 61.79 61.04 3a79 h SER 354 Cb 0.72 -0.14 -0.06 0.00 -0.44 0.00 0.00 62.40 62.49 3a79 h SER 354 CO -0.89 0.43 -0.31 0.15 -0.53 0.00 0.00 176.83 175.68 3a79 h PHE 355 N 0.73 -0.84 -0.99 2.24 3.57 -0.88 -1.88 116.94 118.89 3a79 h PHE 355 Ca 0.23 0.04 0.19 0.00 3.53 0.00 0.00 57.97 61.96 3a79 h PHE 355 Cb -0.02 0.39 -0.10 0.00 2.79 0.00 0.00 35.95 39.01 3a79 h PHE 355 CO -0.05 -0.39 0.61 0.77 -2.23 0.00 0.00 178.31 177.03 3a79 h SER 356 N -0.39 0.72 0.98 0.41 0.02 -0.68 0.14 113.55 114.77 3a79 h SER 356 Ca 0.09 0.09 0.00 0.00 -0.84 0.00 0.00 61.79 61.13 3a79 h SER 356 Cb 0.53 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.03 3a79 h SER 356 CO -0.33 0.26 0.00 0.00 -1.14 0.00 0.00 176.83 175.61 3a79 n GLN 357 N -4.72 0.10 0.01 3.45 6.02 -0.10 -2.17 117.38 119.98 3a79 n GLN 357 Ca 0.23 0.18 0.11 0.00 -0.01 0.00 0.00 57.00 57.51 3a79 n GLN 357 Cb 0.60 -1.64 -0.12 0.00 1.02 0.00 0.00 30.24 30.10 3a79 n GLN 357 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 3a79 n HIS 358 N -1.82 0.18 -1.43 1.08 8.25 0.41 -4.41 115.22 117.48 3a79 n HIS 358 Ca 0.05 0.05 -0.40 0.00 -0.26 0.00 0.00 57.72 57.16 3a79 n HIS 358 Cb 0.31 -0.51 -0.02 0.00 1.12 0.00 0.00 29.99 30.89 3a79 n HIS 358 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 3a79 n LEU 359 N -2.21 8.27 0.14 2.41 4.77 -0.64 -4.12 117.00 125.63 3a79 n LEU 359 Ca -0.02 -4.31 -0.13 0.00 -0.03 0.00 0.00 56.01 51.52 3a79 n LEU 359 Cb 0.53 -1.59 -0.06 0.00 -2.33 0.00 0.00 43.42 39.97 3a79 n LEU 359 CO 0.44 1.82 0.73 0.11 -1.33 0.00 0.00 177.39 179.16 3a79 h LYS 360 N 5.26 -0.42 -0.50 3.23 1.79 -1.77 -3.04 116.57 121.13 3a79 h LYS 360 Ca 0.80 0.03 0.00 0.00 -2.18 0.00 0.00 60.65 59.29 3a79 h LYS 360 Cb 0.38 0.09 0.00 0.00 -1.58 0.00 0.00 32.23 31.12 3a79 h LYS 360 CO 1.81 -0.28 0.00 0.43 -1.08 0.00 0.00 179.45 180.34 3a79 n SER 361 N -5.33 1.93 -4.67 0.86 7.64 -1.11 -3.31 113.62 109.64 3a79 n SER 361 Ca -0.08 -2.13 -0.43 0.00 1.01 0.00 0.00 58.87 57.24 3a79 n SER 361 Cb 0.24 -0.33 -0.02 0.00 -1.01 0.00 0.00 64.21 63.08 3a79 n SER 361 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 3a79 s LEU 362 N -1.00 4.15 -0.15 -3.43 2.96 -1.15 -4.13 118.68 115.95 3a79 s LEU 362 Ca 0.18 1.42 0.03 0.00 -0.22 0.00 0.00 54.13 55.54 3a79 s LEU 362 Cb 0.12 -3.53 -0.11 0.00 0.50 0.00 0.00 46.19 43.17 3a79 s LEU 362 CO 0.10 -0.58 -0.10 -0.62 -1.32 0.00 0.00 176.35 173.83 3a79 n GLU 363 N 5.80 0.72 -5.14 1.98 1.02 0.73 -1.00 120.64 124.75 3a79 n GLU 363 Ca 0.10 0.07 -0.32 0.00 -0.02 0.00 0.00 57.16 56.99 3a79 n GLU 363 Cb 0.47 -1.31 -0.16 0.00 -0.02 0.00 0.00 31.44 30.42 3a79 n GLU 363 CO 0.00 0.00 0.00 0.12 1.18 0.00 0.00 177.13 178.43 3a79 s PHE 364 N -2.30 2.56 -0.06 -0.32 5.36 -0.39 -0.73 117.98 122.11 3a79 s PHE 364 Ca -0.18 -0.81 -0.02 0.00 -0.96 0.00 0.00 56.93 54.97 3a79 s PHE 364 Cb 0.05 -1.69 0.03 0.00 -0.34 0.00 0.00 43.02 41.07 3a79 s PHE 364 CO 0.38 -0.27 0.03 -1.17 -1.46 0.00 0.00 175.22 172.73 3a79 s LEU 365 N 0.09 0.36 -0.31 6.12 2.96 -0.59 -1.83 118.68 125.47 3a79 s LEU 365 Ca -0.10 -0.00 0.04 0.00 -0.22 0.00 0.00 54.13 53.84 3a79 s LEU 365 Cb -0.16 -0.28 0.08 0.00 0.50 0.00 0.00 46.19 46.33 3a79 s LEU 365 CO 0.06 -0.22 -0.01 -0.62 -1.32 0.00 0.00 176.35 174.23 3a79 s ASP 366 N 2.08 4.64 -0.50 3.68 -1.08 -0.73 -0.21 116.67 124.55 3a79 s ASP 366 Ca 0.05 -1.86 0.03 0.00 -0.52 0.00 0.00 52.55 50.25 3a79 s ASP 366 Cb -0.12 -1.60 0.43 0.00 -1.46 0.00 0.00 42.92 40.17 3a79 s ASP 366 CO -0.04 -0.31 1.47 0.18 0.52 0.00 0.00 175.17 176.99 3a79 n LEU 367 N 4.32 5.82 -4.77 -1.34 4.77 0.40 -1.44 117.00 124.76 3a79 n LEU 367 Ca -0.03 -4.82 -0.38 0.00 -0.03 0.00 0.00 56.01 50.75 3a79 n LEU 367 Cb 0.42 -0.62 -0.01 0.00 -2.33 0.00 0.00 43.42 40.88 3a79 n LEU 367 CO 0.22 1.97 0.86 -0.44 -1.33 0.00 0.00 177.39 178.66 3a79 s SER 368 N -2.83 6.36 -0.90 -1.43 0.01 -1.25 -3.83 113.70 109.83 3a79 s SER 368 Ca 0.53 2.38 -0.03 0.00 1.31 0.00 0.00 55.95 60.15 3a79 s SER 368 Cb 0.43 -2.61 0.00 0.00 0.21 0.00 0.00 66.02 64.05 3a79 s SER 368 CO -0.11 -0.79 0.35 1.21 0.41 0.00 0.00 173.24 174.31 3a79 n GLU 369 N -0.11 -2.84 0.00 12.44 2.13 -0.33 -1.78 120.64 130.16 3a79 n GLU 369 Ca 0.05 0.53 0.00 0.00 0.66 0.00 0.00 57.16 58.40 3a79 n GLU 369 Cb 0.46 -4.59 0.00 0.00 0.27 0.00 0.00 31.44 27.58 3a79 n GLU 369 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 3a79 n ASN 370 N -0.71 0.28 -0.35 4.31 4.13 -1.19 -3.71 115.26 118.03 3a79 n ASN 370 Ca -0.07 0.00 0.07 0.00 1.68 0.00 0.00 54.58 56.26 3a79 n ASN 370 Cb 0.57 0.00 0.14 0.00 -1.54 0.00 0.00 39.78 38.95 3a79 n ASN 370 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 3a79 n LEU 371 N 0.00 2.75 -4.73 3.41 4.32 0.22 -4.46 117.00 118.51 3a79 n LEU 371 Ca 0.00 -2.67 -0.42 0.00 -0.02 0.00 0.00 56.01 52.90 3a79 n LEU 371 Cb 0.00 -0.33 -0.03 0.00 -1.62 0.00 0.00 43.42 41.44 3a79 n LEU 371 CO 0.00 0.66 1.34 -0.04 -1.22 0.00 0.00 177.39 178.13 3a79 s MET 372 N -2.17 4.12 0.07 3.23 -1.94 -1.22 -4.76 119.30 116.62 3a79 s MET 372 Ca 0.26 2.61 0.04 0.00 -1.71 0.00 0.00 55.69 56.90 3a79 s MET 372 Cb 0.21 -3.05 -0.03 0.00 2.01 0.00 0.00 34.83 33.97 3a79 s MET 372 CO 0.06 -0.73 -0.12 0.14 -0.01 0.00 0.00 175.02 174.36 3a79 s VAL 373 N 0.82 0.97 0.44 -6.03 -7.23 -1.26 -2.31 120.40 105.80 3a79 s VAL 373 Ca 0.72 -1.33 0.32 0.00 -1.81 0.00 0.00 61.98 59.88 3a79 s VAL 373 Cb -0.49 -1.04 0.50 0.00 0.56 0.00 0.00 36.38 35.91 3a79 s VAL 373 CO 0.37 -0.32 1.58 -0.33 -0.31 0.00 0.00 175.10 176.09 3a79 h GLU 374 N 4.18 0.01 -0.57 4.82 3.07 -1.95 0.27 114.58 124.42 3a79 h GLU 374 Ca -0.39 -0.00 0.01 0.00 -0.50 0.00 0.00 59.36 58.48 3a79 h GLU 374 Cb 1.19 -0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 29.07 3a79 h GLU 374 CO 0.43 0.01 0.36 0.93 -1.40 0.00 0.00 179.01 179.34 3a79 h GLU 375 N 0.01 0.72 0.04 2.33 3.07 -1.99 0.15 114.58 118.90 3a79 h GLU 375 Ca 0.88 -0.04 -0.12 0.00 -0.50 0.00 0.00 59.36 59.58 3a79 h GLU 375 Cb 2.80 -0.16 0.01 0.00 -0.84 0.00 0.00 28.75 30.56 3a79 h GLU 375 CO -0.48 0.47 -0.49 1.88 -1.40 0.00 0.00 179.01 178.99 3a79 h TYR 376 N 0.74 0.43 -0.77 4.33 -1.99 -0.84 -3.30 116.97 115.56 3a79 h TYR 376 Ca 0.21 -0.26 0.22 0.00 2.00 0.00 0.00 58.73 60.91 3a79 h TYR 376 Cb -0.05 -0.04 -0.03 0.00 2.00 0.00 0.00 36.73 38.61 3a79 h TYR 376 CO -0.04 1.11 0.57 1.25 -0.00 0.00 0.00 178.16 181.05 3a79 h LEU 377 N -0.38 0.00 -1.22 3.88 5.85 -0.91 0.46 115.31 122.98 3a79 h LEU 377 Ca -0.07 0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.57 3a79 h LEU 377 Cb 1.28 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.30 3a79 h LEU 377 CO 0.10 0.00 -0.38 0.50 -0.34 0.00 0.00 178.44 178.31 3a79 h LYS 378 N 0.00 0.00 0.19 1.25 3.64 -0.78 -0.13 116.57 120.74 3a79 h LYS 378 Ca 0.37 0.00 -0.34 0.00 -1.27 0.00 0.00 60.65 59.41 3a79 h LYS 378 Cb 1.50 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 33.33 3a79 h LYS 378 CO -0.00 0.38 -1.67 -0.97 -2.27 0.00 0.00 179.45 174.92 3a79 h ASN 379 N 0.00 0.62 0.37 4.20 -0.73 -0.32 -3.35 115.58 116.37 3a79 h ASN 379 Ca -0.00 -0.93 -0.05 0.00 1.87 0.00 0.00 56.30 57.18 3a79 h ASN 379 Cb 0.71 -0.20 -0.01 0.00 0.27 0.00 0.00 38.32 39.09 3a79 h ASN 379 CO 0.05 1.76 -0.26 0.28 -0.37 0.00 0.00 177.43 178.89 3a79 h SER 380 N 0.06 0.00 -2.51 1.15 0.02 -0.83 -2.85 113.55 108.59 3a79 h SER 380 Ca -0.33 0.00 -0.71 0.00 -0.84 0.00 0.00 61.79 59.92 3a79 h SER 380 Cb 2.06 0.00 -0.35 0.00 0.14 0.00 0.00 62.40 64.26 3a79 h SER 380 CO 0.18 0.26 0.13 0.00 -1.14 0.00 0.00 176.83 176.25 3a79 n ALA 381 N -2.41 4.76 -1.76 3.77 0.00 -0.08 -4.71 120.51 120.08 3a79 n ALA 381 Ca -0.02 -4.78 -0.30 0.00 0.00 0.00 0.00 53.44 48.35 3a79 n ALA 381 Cb 0.33 -1.61 0.20 0.00 0.00 0.00 0.00 19.45 18.37 3a79 n ALA 381 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3a79 h LYS 383 N -1.88 0.35 -0.32 0.00 3.64 -1.91 -2.13 116.57 114.31 3a79 h LYS 383 Ca -0.44 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 58.92 3a79 h LYS 383 Cb 1.24 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.98 3a79 h LYS 383 CO 0.35 0.23 0.00 0.41 -2.27 0.00 0.00 179.45 178.17 3a79 n GLY 384 N -1.54 3.73 3.81 5.01 0.00 -1.26 -4.89 105.19 110.05 3a79 n GLY 384 Ca 0.14 -0.95 -0.33 0.00 0.00 0.00 0.00 46.02 44.88 3a79 n GLY 384 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3a79 s ALA 385 N -2.59 2.92 -1.50 4.61 0.00 -0.80 -4.38 121.76 120.01 3a79 s ALA 385 Ca 0.42 0.43 -0.04 0.00 0.00 0.00 0.00 51.96 52.77 3a79 s ALA 385 Cb 0.33 -3.20 0.01 0.00 0.00 0.00 0.00 23.12 20.25 3a79 s ALA 385 CO 0.11 -0.31 0.08 0.91 0.00 0.00 0.00 175.76 176.55 3a79 n TRP 386 N -1.25 -1.26 -0.16 0.00 8.01 -0.92 -4.77 117.44 117.09 3a79 n TRP 386 Ca 0.08 0.54 0.18 0.00 -1.31 0.00 0.00 57.50 56.99 3a79 n TRP 386 Cb 0.53 -2.77 0.55 0.00 -2.01 0.00 0.00 31.31 27.61 3a79 n TRP 386 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 177.69 175.33 3a79 h PRO 387 N -1.88 0.31 -0.53 -0.99 0.11 -1.76 0.13 132.00 127.39 3a79 h PRO 387 Ca -0.66 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.43 3a79 h PRO 387 Cb 1.39 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.43 3a79 h PRO 387 CO 0.68 0.21 0.00 0.43 -0.21 0.00 0.00 178.00 179.11 3a79 n SER 388 N -4.45 3.60 -4.69 -2.05 7.64 -1.21 -4.30 113.62 108.16 3a79 n SER 388 Ca 0.15 -1.98 -0.42 0.00 1.01 0.00 0.00 58.87 57.63 3a79 n SER 388 Cb 0.61 -0.35 -0.03 0.00 -1.01 0.00 0.00 64.21 63.44 3a79 n SER 388 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 3a79 s LEU 389 N -1.21 4.36 -0.09 -3.43 2.96 0.43 -4.12 118.68 117.58 3a79 s LEU 389 Ca 0.41 2.42 0.08 0.00 -0.22 0.00 0.00 54.13 56.82 3a79 s LEU 389 Cb 0.23 -3.56 -0.11 0.00 0.50 0.00 0.00 46.19 43.24 3a79 s LEU 389 CO 0.30 -0.85 0.03 0.00 -1.32 0.00 0.00 176.35 174.51 3a79 n GLN 390 N 5.47 2.46 -4.09 1.98 6.02 0.09 -2.15 117.38 127.17 3a79 n GLN 390 Ca 0.15 -0.00 -0.29 0.00 -0.01 0.00 0.00 57.00 56.85 3a79 n GLN 390 Cb 0.41 -1.23 -0.17 0.00 1.02 0.00 0.00 30.24 30.27 3a79 n GLN 390 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 3a79 s THR 391 N -2.22 1.40 -0.10 5.09 2.01 -0.63 -1.38 115.64 119.81 3a79 s THR 391 Ca -0.05 -0.54 -0.00 0.00 0.31 0.00 0.00 61.69 61.41 3a79 s THR 391 Cb 0.03 -1.33 -0.03 0.00 0.01 0.00 0.00 72.50 71.18 3a79 s THR 391 CO 0.37 0.43 -0.09 -0.22 -0.69 0.00 0.00 174.62 174.42 3a79 s LEU 392 N 1.43 3.03 -0.24 4.42 2.96 -0.77 -1.54 118.68 127.96 3a79 s LEU 392 Ca 0.02 -0.14 0.01 0.00 -0.22 0.00 0.00 54.13 53.80 3a79 s LEU 392 Cb -0.13 -1.68 0.06 0.00 0.50 0.00 0.00 46.19 44.94 3a79 s LEU 392 CO -0.08 0.27 -0.05 -0.69 -1.32 0.00 0.00 176.35 174.47 3a79 s VAL 393 N -0.23 1.58 -0.33 1.68 1.01 0.71 -1.58 120.40 123.24 3a79 s VAL 393 Ca 0.03 -1.28 0.06 0.00 0.00 0.00 0.00 61.98 60.79 3a79 s VAL 393 Cb -0.13 -1.85 0.45 0.00 0.00 0.00 0.00 36.38 34.85 3a79 s VAL 393 CO 0.03 -0.12 1.20 0.18 0.00 0.00 0.00 175.10 176.38 3a79 n LEU 394 N 4.65 4.96 -4.75 3.92 4.77 1.00 -0.45 117.00 131.08 3a79 n LEU 394 Ca -0.12 -4.84 -0.35 0.00 -0.03 0.00 0.00 56.01 50.67 3a79 n LEU 394 Cb 0.44 -0.38 0.04 0.00 -2.33 0.00 0.00 43.42 41.18 3a79 n LEU 394 CO 0.18 2.12 0.81 -0.55 -1.33 0.00 0.00 177.39 178.63 3a79 s SER 395 N -3.54 5.13 -1.54 -1.43 0.15 -1.13 -3.72 113.70 107.62 3a79 s SER 395 Ca 0.51 2.30 -0.13 0.00 0.70 0.00 0.00 55.95 59.33 3a79 s SER 395 Cb 0.41 -2.59 0.09 0.00 -1.71 0.00 0.00 66.02 62.22 3a79 s SER 395 CO -0.01 -1.63 0.88 1.67 1.20 0.00 0.00 173.24 175.35 3a79 n GLN 396 N -1.80 -4.82 0.00 5.44 7.27 -0.55 -1.18 117.38 121.73 3a79 n GLN 396 Ca 0.13 0.54 0.00 0.00 0.07 0.00 0.00 57.00 57.74 3a79 n GLN 396 Cb 0.50 -5.31 0.00 0.00 2.41 0.00 0.00 30.24 27.84 3a79 n GLN 396 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 3a79 n ASN 397 N -2.83 0.15 -1.34 1.69 4.13 -1.24 -2.49 115.26 113.33 3a79 n ASN 397 Ca -0.01 0.00 -0.09 0.00 1.68 0.00 0.00 54.58 56.16 3a79 n ASN 397 Cb 0.54 0.00 0.11 0.00 -1.54 0.00 0.00 39.78 38.90 3a79 n ASN 397 CO 0.00 0.00 0.00 1.41 0.28 0.00 0.00 177.26 178.95 3a79 n HIS 398 N 0.00 1.40 -2.14 3.10 8.25 -0.98 -4.73 115.22 120.12 3a79 n HIS 398 Ca 0.00 -1.86 -0.39 0.00 -0.26 0.00 0.00 57.72 55.20 3a79 n HIS 398 Cb 0.00 -0.30 -0.01 0.00 1.12 0.00 0.00 29.99 30.80 3a79 n HIS 398 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3a79 s LEU 399 N -3.41 4.23 0.00 2.41 1.43 -1.25 -4.80 118.68 117.28 3a79 s LEU 399 Ca 0.45 2.55 0.00 0.00 -1.03 0.00 0.00 54.13 56.10 3a79 s LEU 399 Cb 0.39 -3.92 0.00 0.00 0.03 0.00 0.00 46.19 42.69 3a79 s LEU 399 CO -0.01 -0.77 0.11 0.54 0.23 0.00 0.00 176.35 176.45 3a79 n ARG 400 N 0.17 1.71 -3.64 1.70 1.74 -1.26 -4.19 116.66 112.88 3a79 n ARG 400 Ca 0.04 -0.11 -0.28 0.00 -0.77 0.00 0.00 57.85 56.72 3a79 n ARG 400 Cb 0.44 -0.48 -0.16 0.00 -1.02 0.00 0.00 32.46 31.24 3a79 n ARG 400 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 3a79 s SER 401 N -0.28 3.04 0.43 0.55 0.15 -1.26 -1.35 113.70 114.98 3a79 s SER 401 Ca 0.00 -0.99 0.18 0.00 0.70 0.00 0.00 55.95 55.84 3a79 s SER 401 Cb 0.00 -0.45 1.10 0.00 -1.71 0.00 0.00 66.02 64.95 3a79 s SER 401 CO 0.00 -0.37 1.88 0.24 1.20 0.00 0.00 173.24 176.19 3a79 h MET 402 N 8.32 0.37 -0.15 5.44 2.86 -1.95 -0.55 114.93 129.28 3a79 h MET 402 Ca -0.16 -0.02 -0.04 0.00 -2.06 0.00 0.00 59.70 57.42 3a79 h MET 402 Cb 1.09 -0.08 -0.00 0.00 0.06 0.00 0.00 31.60 32.66 3a79 h MET 402 CO 0.37 0.25 -0.04 0.37 1.06 0.00 0.00 176.91 178.91 3a79 h GLN 403 N 0.38 0.30 -0.63 1.72 4.15 -1.94 -1.55 115.11 117.54 3a79 h GLN 403 Ca 0.43 -0.12 -0.01 0.00 0.77 0.00 0.00 58.65 59.72 3a79 h GLN 403 Cb 1.08 -0.01 -0.03 0.00 0.21 0.00 0.00 27.48 28.72 3a79 h GLN 403 CO -0.15 0.59 0.36 0.87 -1.93 0.00 0.00 178.83 178.57 3a79 h LYS 404 N -0.01 0.87 0.90 1.69 1.57 -1.85 -2.75 116.57 116.98 3a79 h LYS 404 Ca 0.04 -0.09 -0.04 0.00 -1.87 0.00 0.00 60.65 58.68 3a79 h LYS 404 Cb 0.48 -0.17 0.01 0.00 0.08 0.00 0.00 32.23 32.63 3a79 h LYS 404 CO 0.02 0.65 -0.43 1.15 -0.57 0.00 0.00 179.45 180.26 3a79 h THR 405 N 0.85 0.11 -0.33 -0.16 2.02 -1.07 -1.90 112.91 112.44 3a79 h THR 405 Ca 0.22 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.49 3a79 h THR 405 Cb 0.02 0.11 -0.01 0.00 -1.74 0.00 0.00 68.15 66.53 3a79 h THR 405 CO -0.04 0.00 0.24 1.23 0.37 0.00 0.00 175.52 177.32 3a79 h GLY 406 N -1.21 0.03 1.70 2.16 0.00 -1.31 -1.82 103.07 102.61 3a79 h GLY 406 Ca -0.12 -0.01 -0.26 0.00 0.00 0.00 0.00 47.33 46.94 3a79 h GLY 406 CO 0.20 0.01 -1.20 -2.09 0.00 0.00 0.00 176.54 173.46 3a79 h GLU 407 N 0.02 0.19 -0.44 4.80 4.81 -1.33 -3.03 114.58 119.60 3a79 h GLU 407 Ca 0.16 -0.33 -0.06 0.00 -0.13 0.00 0.00 59.36 59.00 3a79 h GLU 407 Cb 0.60 0.12 -0.02 0.00 0.63 0.00 0.00 28.75 30.08 3a79 h GLU 407 CO -0.01 1.14 0.04 0.82 -0.73 0.00 0.00 179.01 180.27 3a79 h ILE 408 N 0.05 1.22 -0.00 2.32 2.04 -0.55 -2.98 117.51 119.61 3a79 h ILE 408 Ca -0.11 -0.87 0.00 0.00 1.00 0.00 0.00 64.86 64.88 3a79 h ILE 408 Cb 1.92 0.85 0.00 0.00 -0.74 0.00 0.00 36.82 38.85 3a79 h ILE 408 CO 0.18 0.31 -0.00 0.18 0.00 0.00 0.00 178.15 178.81 3a79 n LEU 409 N -4.26 0.06 0.27 1.44 4.77 -0.80 -3.41 117.00 115.08 3a79 n LEU 409 Ca 0.02 0.06 0.16 0.00 -0.03 0.00 0.00 56.01 56.23 3a79 n LEU 409 Cb 0.26 -0.09 0.90 0.00 -2.33 0.00 0.00 43.42 42.16 3a79 n LEU 409 CO 0.40 0.01 1.14 -0.07 -1.33 0.00 0.00 177.39 177.54 3a79 h LEU 410 N 0.09 0.00 -2.68 2.23 3.38 -1.51 0.12 115.31 116.94 3a79 h LEU 410 Ca 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 3a79 h LEU 410 Cb 0.11 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.86 3a79 h LEU 410 CO 0.00 0.00 -0.00 0.71 0.09 0.00 0.00 178.44 179.24 3a79 h THR 411 N 0.00 0.28 -2.77 0.22 1.35 -1.81 -3.37 112.91 106.81 3a79 h THR 411 Ca 0.03 -0.02 -0.69 0.00 -0.55 0.00 0.00 66.41 65.18 3a79 h THR 411 Cb 0.17 1.02 -0.18 0.00 -1.73 0.00 0.00 68.15 67.42 3a79 h THR 411 CO -0.00 0.00 0.43 -0.76 -0.25 0.00 0.00 175.52 174.94 3a79 s LEU 412 N -6.96 5.12 0.15 3.87 1.43 0.42 -4.72 118.68 118.00 3a79 s LEU 412 Ca -0.05 -1.57 -0.04 0.00 -1.03 0.00 0.00 54.13 51.44 3a79 s LEU 412 Cb 0.14 -2.35 -0.02 0.00 0.03 0.00 0.00 46.19 43.99 3a79 s LEU 412 CO 0.49 -1.15 1.38 0.11 0.23 0.00 0.00 176.35 177.40 3a79 h LYS 413 N 9.09 0.48 -0.35 1.70 1.79 -1.84 -3.20 116.57 124.24 3a79 h LYS 413 Ca -0.14 -0.42 0.00 0.00 -2.18 0.00 0.00 60.65 57.91 3a79 h LYS 413 Cb 1.06 0.10 0.00 0.00 -1.58 0.00 0.00 32.23 31.81 3a79 h LYS 413 CO 1.10 1.06 0.00 0.09 -1.08 0.00 0.00 179.45 180.62 3a79 n ASN 414 N -3.83 2.28 -4.68 0.86 3.02 -1.26 -4.74 115.26 106.90 3a79 n ASN 414 Ca -0.06 -1.91 -0.42 0.00 -0.03 0.00 0.00 54.58 52.17 3a79 n ASN 414 Cb 0.75 -0.23 -0.03 0.00 -0.61 0.00 0.00 39.78 39.66 3a79 n ASN 414 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 3a79 s LEU 415 N -1.24 4.28 0.00 3.41 2.96 -0.91 -4.01 118.68 123.17 3a79 s LEU 415 Ca 0.32 1.92 0.00 0.00 -0.22 0.00 0.00 54.13 56.15 3a79 s LEU 415 Cb 0.17 -3.56 0.00 0.00 0.50 0.00 0.00 46.19 43.30 3a79 s LEU 415 CO 0.24 -0.66 0.22 0.35 -1.32 0.00 0.00 176.35 175.18 3a79 n THR 416 N 4.73 0.00 -3.30 3.68 -2.24 -0.48 -3.37 114.28 113.30 3a79 n THR 416 Ca 0.12 -0.33 0.03 0.00 -2.27 0.00 0.00 64.05 61.59 3a79 n THR 416 Cb 0.45 1.22 -0.02 0.00 -2.10 0.00 0.00 70.33 69.88 3a79 n THR 416 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3a79 s SER 417 N -0.22 -1.26 0.03 3.42 0.15 -0.68 -0.41 113.70 114.74 3a79 s SER 417 Ca 0.00 1.05 0.08 0.00 0.70 0.00 0.00 55.95 57.78 3a79 s SER 417 Cb 0.00 2.16 -0.03 0.00 -1.71 0.00 0.00 66.02 66.44 3a79 s SER 417 CO 0.00 -0.24 -0.24 -0.22 1.20 0.00 0.00 173.24 173.74 3a79 s LEU 418 N 2.86 2.14 -0.29 3.45 2.96 0.79 -1.85 118.68 128.74 3a79 s LEU 418 Ca 0.12 -0.54 -0.00 0.00 -0.22 0.00 0.00 54.13 53.48 3a79 s LEU 418 Cb -0.14 -1.18 0.09 0.00 0.50 0.00 0.00 46.19 45.47 3a79 s LEU 418 CO -0.20 0.23 0.07 -0.62 -1.32 0.00 0.00 176.35 174.52 3a79 s ASP 419 N -1.09 3.96 -0.28 3.68 3.68 -0.61 -1.85 116.67 124.15 3a79 s ASP 419 Ca 0.10 -1.55 0.09 0.00 2.13 0.00 0.00 52.55 53.32 3a79 s ASP 419 Cb -0.09 -0.93 0.51 0.00 -1.45 0.00 0.00 42.92 40.96 3a79 s ASP 419 CO 0.01 -0.39 1.46 2.30 0.13 0.00 0.00 175.17 178.69 3a79 n ILE 420 N 4.81 2.53 -0.73 4.11 -5.35 -1.04 -0.00 119.36 123.68 3a79 n ILE 420 Ca -0.03 -2.69 -0.29 0.00 -0.27 0.00 0.00 62.75 59.46 3a79 n ILE 420 Cb 0.43 -0.32 0.25 0.00 -1.74 0.00 0.00 39.64 38.26 3a79 n ILE 420 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 3a79 s SER 421 N -2.50 0.52 -0.97 7.28 1.04 -1.07 -3.79 113.70 114.21 3a79 s SER 421 Ca 0.44 1.01 -0.07 0.00 0.48 0.00 0.00 55.95 57.81 3a79 s SER 421 Cb 0.40 -1.51 0.07 0.00 0.10 0.00 0.00 66.02 65.08 3a79 s SER 421 CO 0.00 -4.41 0.29 0.54 0.98 0.00 0.00 173.24 170.64 3a79 n ARG 422 N -5.01 -2.67 -4.08 4.02 1.74 -0.79 -1.48 116.66 108.40 3a79 n ARG 422 Ca 0.09 0.30 -0.32 0.00 -0.77 0.00 0.00 57.85 57.14 3a79 n ARG 422 Cb 0.58 -4.91 -0.15 0.00 -1.02 0.00 0.00 32.46 26.96 3a79 n ARG 422 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 3a79 s ASN 423 N -2.49 4.08 -0.07 0.55 -0.87 -1.25 -3.39 114.94 111.51 3a79 s ASN 423 Ca 0.29 -1.16 -0.18 0.00 -1.57 0.00 0.00 52.86 50.23 3a79 s ASN 423 Cb -0.16 -1.54 -0.22 0.00 -0.02 0.00 0.00 41.25 39.31 3a79 s ASN 423 CO 0.36 -0.14 1.41 0.35 -2.57 0.00 0.00 177.10 176.51 3a79 n THR 424 N 4.50 0.17 -1.81 1.60 -2.24 -1.26 -4.69 114.28 110.56 3a79 n THR 424 Ca -0.16 -0.13 -0.39 0.00 -2.27 0.00 0.00 64.05 61.10 3a79 n THR 424 Cb 0.44 -1.84 0.02 0.00 -2.10 0.00 0.00 70.33 66.86 3a79 n THR 424 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 3a79 s PHE 425 N 6.04 2.41 0.87 4.78 0.40 -1.15 -4.82 117.98 126.52 3a79 s PHE 425 Ca 0.42 1.31 -0.11 0.00 -0.60 0.00 0.00 56.93 57.95 3a79 s PHE 425 Cb 0.09 -3.86 0.12 0.00 0.51 0.00 0.00 43.02 39.88 3a79 s PHE 425 CO 0.20 -2.88 1.11 -1.01 0.70 0.00 0.00 175.22 173.34 3a79 s HIS 426 N -1.24 2.07 0.09 0.36 3.76 -0.46 -4.77 115.29 115.10 3a79 s HIS 426 Ca 0.65 1.59 -0.31 0.00 -0.15 0.00 0.00 55.06 56.84 3a79 s HIS 426 Cb -0.42 -3.19 -0.10 0.00 1.11 0.00 0.00 32.58 29.98 3a79 s HIS 426 CO 0.53 -2.43 1.90 -2.30 -0.85 0.00 0.00 174.74 171.58 3a79 n PRO 427 N -3.96 2.84 -2.08 8.40 -0.02 -1.26 -4.75 135.00 134.17 3a79 n PRO 427 Ca 0.10 1.04 -0.37 0.00 -2.02 0.00 0.00 63.50 62.24 3a79 n PRO 427 Cb 0.53 -2.96 0.01 0.00 -0.02 0.00 0.00 33.50 31.06 3a79 n PRO 427 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3a79 s MET 428 N 3.44 3.49 0.00 -0.52 0.23 -1.26 -5.01 119.30 119.67 3a79 s MET 428 Ca 0.85 1.93 0.00 0.00 -1.03 0.00 0.00 55.69 57.44 3a79 s MET 428 Cb -0.46 -2.32 0.00 0.00 -1.53 0.00 0.00 34.83 30.52 3a79 s MET 428 CO 0.39 -0.81 0.00 -0.35 -2.03 0.00 0.00 175.02 172.22 3a79 n PRO 429 N -0.75 0.58 0.10 3.16 -0.05 -1.26 -4.74 135.00 132.04 3a79 n PRO 429 Ca 0.09 0.00 -0.18 0.00 -0.05 0.00 0.00 63.50 63.36 3a79 n PRO 429 Cb 0.47 0.00 -0.14 0.00 -0.05 0.00 0.00 33.50 33.78 3a79 n PRO 429 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 175.50 175.01 3a79 h ASP 430 N 0.00 0.48 -3.69 3.54 3.45 -1.96 -3.22 116.42 115.03 3a79 h ASP 430 Ca 0.00 -0.56 -0.67 0.00 0.43 0.00 0.00 57.03 56.23 3a79 h ASP 430 Cb 0.00 -0.16 -0.35 0.00 -0.56 0.00 0.00 39.33 38.27 3a79 h ASP 430 CO 0.00 1.44 -0.77 -0.55 -1.57 0.00 0.00 179.24 177.79 3a79 s SER 431 N -7.17 4.40 0.17 6.45 0.15 -1.26 -3.34 113.70 113.10 3a79 s SER 431 Ca -0.06 -1.19 0.04 0.00 0.70 0.00 0.00 55.95 55.44 3a79 s SER 431 Cb 0.06 -1.61 -0.05 0.00 -1.71 0.00 0.00 66.02 62.72 3a79 s SER 431 CO 0.88 -0.18 -0.06 0.00 1.20 0.00 0.00 173.24 175.09 3a79 s GLN 433 N -3.80 1.48 0.21 0.00 -0.21 -1.26 -4.98 119.66 111.10 3a79 s GLN 433 Ca 0.21 -1.16 -0.01 0.00 0.02 0.00 0.00 55.36 54.42 3a79 s GLN 433 Cb 0.04 -1.75 -0.04 0.00 1.00 0.00 0.00 33.01 32.26 3a79 s GLN 433 CO 0.03 0.43 0.16 -1.58 -2.12 0.00 0.00 175.29 172.21 3a79 s TRP 434 N -0.94 1.16 0.05 0.91 0.52 -1.26 -3.43 118.94 115.95 3a79 s TRP 434 Ca 0.11 -1.36 -0.36 0.00 0.02 0.00 0.00 56.10 54.50 3a79 s TRP 434 Cb -0.10 -0.53 -0.16 0.00 -1.15 0.00 0.00 33.47 31.54 3a79 s TRP 434 CO 0.04 -0.68 1.47 -2.30 0.02 0.00 0.00 176.95 175.50 3a79 n PRO 435 N -0.30 1.43 0.02 4.98 -0.02 -1.26 -4.82 135.00 135.03 3a79 n PRO 435 Ca 0.02 0.52 0.07 0.00 -2.02 0.00 0.00 63.50 62.09 3a79 n PRO 435 Cb 0.65 -2.20 0.30 0.00 -0.02 0.00 0.00 33.50 32.23 3a79 n PRO 435 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 3a79 n GLU 436 N 3.30 0.03 -0.28 -0.52 4.07 -1.26 -1.42 120.64 124.56 3a79 n GLU 436 Ca 0.19 0.32 0.07 0.00 -0.06 0.00 0.00 57.16 57.69 3a79 n GLU 436 Cb 0.21 -1.57 0.21 0.00 -0.06 0.00 0.00 31.44 30.24 3a79 n GLU 436 CO 0.00 0.00 0.00 1.63 -0.06 0.00 0.00 177.13 178.70 3a79 n LYS 437 N -1.63 2.93 -2.13 5.31 5.02 -1.26 -4.95 118.16 121.45 3a79 n LYS 437 Ca 0.03 -2.32 -0.40 0.00 -2.02 0.00 0.00 58.31 53.59 3a79 n LYS 437 Cb 0.15 -1.44 -0.03 0.00 -0.02 0.00 0.00 35.03 33.70 3a79 n LYS 437 CO 0.00 0.00 0.00 1.41 -0.52 0.00 0.00 177.40 178.29 3a79 s MET 438 N -1.27 2.97 0.01 1.97 1.75 -0.51 -4.11 119.30 120.11 3a79 s MET 438 Ca 0.32 0.74 0.22 0.00 -1.25 0.00 0.00 55.69 55.73 3a79 s MET 438 Cb 0.19 -4.27 -0.27 0.00 2.84 0.00 0.00 34.83 33.32 3a79 s MET 438 CO 0.19 -2.33 0.61 0.54 -0.65 0.00 0.00 175.02 173.38 3a79 n ARG 439 N 8.88 0.61 -4.03 4.11 1.74 0.46 -4.14 116.66 124.29 3a79 n ARG 439 Ca 0.19 -0.13 -0.29 0.00 -0.77 0.00 0.00 57.85 56.85 3a79 n ARG 439 Cb 0.50 -1.57 -0.17 0.00 -1.02 0.00 0.00 32.46 30.20 3a79 n ARG 439 CO 0.00 0.00 0.00 0.12 -1.52 0.00 0.00 177.63 176.23 3a79 s PHE 440 N -3.46 1.88 -0.10 -1.55 5.36 -0.97 -1.24 117.98 117.89 3a79 s PHE 440 Ca -0.06 -1.00 0.01 0.00 -0.96 0.00 0.00 56.93 54.92 3a79 s PHE 440 Cb 0.13 -1.43 0.02 0.00 -0.34 0.00 0.00 43.02 41.40 3a79 s PHE 440 CO 0.88 -0.58 -0.11 -1.17 -1.46 0.00 0.00 175.22 172.78 3a79 s LEU 441 N 1.50 1.48 -0.31 6.12 2.96 -0.89 -0.15 118.68 129.39 3a79 s LEU 441 Ca 0.03 -0.35 -0.06 0.00 -0.22 0.00 0.00 54.13 53.54 3a79 s LEU 441 Cb -0.13 -0.93 0.03 0.00 0.50 0.00 0.00 46.19 45.66 3a79 s LEU 441 CO -0.09 -0.04 0.08 0.21 -1.32 0.00 0.00 176.35 175.19 3a79 s ASN 442 N 1.25 5.14 -0.18 3.68 3.84 -0.77 -2.17 114.94 125.73 3a79 s ASN 442 Ca -0.03 -0.95 0.15 0.00 0.21 0.00 0.00 52.86 52.24 3a79 s ASN 442 Cb -0.14 -1.85 0.40 0.00 -0.55 0.00 0.00 41.25 39.11 3a79 s ASN 442 CO -0.04 -0.25 1.26 0.18 -2.79 0.00 0.00 177.10 175.46 3a79 n LEU 443 N 4.81 2.98 -4.72 3.21 4.77 0.12 -2.51 117.00 125.67 3a79 n LEU 443 Ca -0.14 -3.35 -0.33 0.00 -0.03 0.00 0.00 56.01 52.16 3a79 n LEU 443 Cb 0.46 -0.50 0.11 0.00 -2.33 0.00 0.00 43.42 41.15 3a79 n LEU 443 CO 0.31 0.93 0.76 -0.55 -1.33 0.00 0.00 177.39 177.51 3a79 s SER 444 N -2.73 4.02 -1.02 -1.43 0.15 -1.03 -3.37 113.70 108.29 3a79 s SER 444 Ca 0.37 2.23 -0.01 0.00 0.70 0.00 0.00 55.95 59.24 3a79 s SER 444 Cb 0.33 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 62.07 3a79 s SER 444 CO 0.01 -2.38 0.03 -1.20 1.20 0.00 0.00 173.24 170.91 3a79 n SER 445 N -3.13 -3.78 -1.20 5.45 7.64 -0.60 -1.88 113.62 116.13 3a79 n SER 445 Ca 0.12 0.17 0.11 0.00 1.01 0.00 0.00 58.87 60.29 3a79 n SER 445 Cb 0.51 -3.21 0.25 0.00 -1.01 0.00 0.00 64.21 60.75 3a79 n SER 445 CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10 3a79 n THR 446 N -3.39 0.73 -0.51 0.44 5.66 -1.22 -3.86 114.28 112.14 3a79 n THR 446 Ca -0.13 -0.87 0.00 0.00 -3.05 0.00 0.00 64.05 60.00 3a79 n THR 446 Cb 0.60 0.76 0.00 0.00 -1.55 0.00 0.00 70.33 70.14 3a79 n THR 446 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3a79 n GLY 447 N 1.49 1.38 3.78 1.09 0.00 -1.26 -2.92 105.19 108.75 3a79 n GLY 447 Ca 0.21 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.92 3a79 n GLY 447 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3a79 s ILE 448 N -2.94 3.27 -0.01 -0.61 -4.36 -1.26 -4.60 121.20 110.69 3a79 s ILE 448 Ca 0.00 0.41 0.07 0.00 -0.26 0.00 0.00 60.65 60.87 3a79 s ILE 448 Cb 0.00 -3.04 0.11 0.00 1.25 0.00 0.00 42.46 40.78 3a79 s ILE 448 CO 0.00 -0.54 1.05 -2.11 0.24 0.00 0.00 174.94 173.58 3a79 n ARG 449 N -3.48 0.06 -3.55 0.37 1.85 -1.26 0.55 116.66 111.21 3a79 n ARG 449 Ca 0.08 -1.30 -0.14 0.00 -1.00 0.00 0.00 57.85 55.48 3a79 n ARG 449 Cb 0.55 -0.44 -0.06 0.00 -1.05 0.00 0.00 32.46 31.46 3a79 n ARG 449 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 3a79 s VAL 450 N -0.14 0.00 -0.19 8.89 1.01 -1.26 -4.22 120.40 124.49 3a79 s VAL 450 Ca 0.09 0.00 0.01 0.00 0.00 0.00 0.00 61.98 62.08 3a79 s VAL 450 Cb 0.10 -1.00 0.04 0.00 0.00 0.00 0.00 36.38 35.52 3a79 s VAL 450 CO -0.04 0.00 -0.10 -0.69 0.00 0.00 0.00 175.10 174.28 3a79 s VAL 451 N -1.15 1.52 0.44 2.92 1.01 -1.26 -4.89 120.40 118.99 3a79 s VAL 451 Ca -0.06 -0.88 0.07 0.00 0.00 0.00 0.00 61.98 61.11 3a79 s VAL 451 Cb -0.00 -1.59 0.07 0.00 0.00 0.00 0.00 36.38 34.86 3a79 s VAL 451 CO 0.06 0.20 0.61 0.29 0.00 0.00 0.00 175.10 176.25 3a79 n LYS 452 N 4.74 0.68 0.00 2.72 4.76 -1.26 -4.76 118.16 125.03 3a79 n LYS 452 Ca -0.14 -2.32 0.00 0.00 -2.87 0.00 0.00 58.31 52.97 3a79 n LYS 452 Cb 0.47 -0.19 0.00 0.00 -1.84 0.00 0.00 35.03 33.47 3a79 n LYS 452 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 3a79 n THR 453 N -1.97 0.00 0.43 -0.18 -2.24 -1.26 -3.58 114.28 105.48 3a79 n THR 453 Ca 0.12 0.00 -0.19 0.00 -2.27 0.00 0.00 64.05 61.71 3a79 n THR 453 Cb 0.45 -0.32 -0.09 0.00 -2.10 0.00 0.00 70.33 68.26 3a79 n THR 453 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3a79 n ILE 455 N -5.55 0.18 -2.41 0.00 -0.00 -1.23 -4.51 119.36 105.84 3a79 n ILE 455 Ca -0.15 -0.03 -0.40 0.00 -0.00 0.00 0.00 62.75 62.17 3a79 n ILE 455 Cb 0.43 -1.05 -0.04 0.00 -0.00 0.00 0.00 39.64 38.99 3a79 n ILE 455 CO 0.00 0.00 0.00 -2.84 -0.00 0.00 0.00 176.55 173.71 3a79 s PRO 456 N 2.29 4.48 0.58 0.38 0.02 -1.26 -4.94 135.00 136.56 3a79 s PRO 456 Ca 0.93 1.84 0.28 0.00 0.02 0.00 0.00 61.00 64.07 3a79 s PRO 456 Cb -1.03 -3.04 1.58 0.00 0.02 0.00 0.00 34.50 32.03 3a79 s PRO 456 CO 0.58 0.06 2.05 1.96 -0.33 0.00 0.00 177.00 181.32 3a79 h GLN 457 N 3.48 0.00 0.00 5.54 4.20 -1.90 -2.56 115.11 123.86 3a79 h GLN 457 Ca -0.47 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.24 3a79 h GLN 457 Cb 1.22 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.00 3a79 h GLN 457 CO 0.66 0.00 0.00 0.25 -0.67 0.00 0.00 178.83 179.07 3a79 n THR 458 N -3.85 0.44 -2.46 -0.54 -2.24 -1.26 -4.42 114.28 99.94 3a79 n THR 458 Ca 0.04 0.11 -0.42 0.00 -2.27 0.00 0.00 64.05 61.51 3a79 n THR 458 Cb 0.42 -0.96 -0.03 0.00 -2.10 0.00 0.00 70.33 67.66 3a79 n THR 458 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 3a79 s LEU 459 N -2.31 3.37 0.29 3.22 2.96 -0.97 -4.47 118.68 120.77 3a79 s LEU 459 Ca 0.11 0.11 0.14 0.00 -0.22 0.00 0.00 54.13 54.28 3a79 s LEU 459 Cb 0.06 -2.99 0.32 0.00 0.50 0.00 0.00 46.19 44.09 3a79 s LEU 459 CO 0.13 -1.69 1.57 -0.33 -1.32 0.00 0.00 176.35 174.71 3a79 h GLU 460 N 10.56 0.00 -4.05 1.98 5.08 -1.45 -3.21 114.58 123.50 3a79 h GLU 460 Ca -0.26 0.00 -0.41 0.00 -1.00 0.00 0.00 59.36 57.68 3a79 h GLU 460 Cb 1.08 0.00 -0.34 0.00 0.50 0.00 0.00 28.75 29.99 3a79 h GLU 460 CO 1.20 0.56 -0.77 0.08 -1.00 0.00 0.00 179.01 179.08 3a79 s VAL 461 N -3.31 0.56 -0.04 3.13 1.01 -0.37 -0.45 120.40 120.93 3a79 s VAL 461 Ca 0.01 -0.14 0.03 0.00 0.00 0.00 0.00 61.98 61.88 3a79 s VAL 461 Cb 0.10 -0.58 0.01 0.00 0.00 0.00 0.00 36.38 35.91 3a79 s VAL 461 CO 0.74 0.23 -0.10 -0.22 0.00 0.00 0.00 175.10 175.74 3a79 s LEU 462 N 0.88 1.74 -0.23 3.92 2.96 -1.13 -2.08 118.68 124.74 3a79 s LEU 462 Ca -0.12 -0.22 0.01 0.00 -0.22 0.00 0.00 54.13 53.58 3a79 s LEU 462 Cb -0.14 -0.64 0.05 0.00 0.50 0.00 0.00 46.19 45.96 3a79 s LEU 462 CO 0.00 0.06 -0.07 -0.62 -1.32 0.00 0.00 176.35 174.40 3a79 s ASP 463 N 0.31 3.76 -0.21 3.68 -1.08 -0.92 -1.45 116.67 120.75 3a79 s ASP 463 Ca -0.06 -1.10 0.16 0.00 -0.52 0.00 0.00 52.55 51.02 3a79 s ASP 463 Cb -0.11 -1.22 0.46 0.00 -1.46 0.00 0.00 42.92 40.59 3a79 s ASP 463 CO 0.01 -0.20 1.17 0.52 0.52 0.00 0.00 175.17 177.19 3a79 n VAL 464 N 4.66 1.67 -1.89 1.11 0.31 0.30 0.14 118.33 124.62 3a79 n VAL 464 Ca -0.13 -3.07 -0.29 0.00 -0.01 0.00 0.00 64.34 60.84 3a79 n VAL 464 Cb 0.45 0.09 0.15 0.00 -0.91 0.00 0.00 33.84 33.62 3a79 n VAL 464 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 3a79 s SER 465 N -3.28 3.65 -1.42 4.52 1.04 -1.21 -4.38 113.70 112.63 3a79 s SER 465 Ca 0.39 0.50 -0.00 0.00 0.48 0.00 0.00 55.95 57.31 3a79 s SER 465 Cb 0.37 -0.74 0.00 0.00 0.10 0.00 0.00 66.02 65.75 3a79 s SER 465 CO -0.04 -2.42 0.37 -3.20 0.98 0.00 0.00 173.24 168.93 3a79 n ASN 466 N -3.60 -0.18 0.00 7.02 5.15 -0.97 -1.56 115.26 121.11 3a79 n ASN 466 Ca 0.12 -1.04 0.00 0.00 -0.60 0.00 0.00 54.58 53.06 3a79 n ASN 466 Cb 0.60 -2.90 0.00 0.00 -0.53 0.00 0.00 39.78 36.95 3a79 n ASN 466 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 3a79 n ASN 467 N -2.98 0.00 -0.89 1.20 5.03 -1.11 -3.41 115.26 113.11 3a79 n ASN 467 Ca -0.31 0.00 0.05 0.00 0.87 0.00 0.00 54.58 55.19 3a79 n ASN 467 Cb 0.69 0.00 0.13 0.00 -1.02 0.00 0.00 39.78 39.58 3a79 n ASN 467 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 3a79 n ASN 468 N 0.00 1.42 -4.70 6.41 4.13 0.19 -4.63 115.26 118.08 3a79 n ASN 468 Ca 0.00 -3.09 -0.42 0.00 1.68 0.00 0.00 54.58 52.75 3a79 n ASN 468 Cb 0.00 -0.43 -0.03 0.00 -1.54 0.00 0.00 39.78 37.78 3a79 n ASN 468 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 3a79 s LEU 469 N -1.91 4.39 -0.10 3.41 1.02 -1.23 -4.36 118.68 119.90 3a79 s LEU 469 Ca 0.35 2.75 0.18 0.00 0.02 0.00 0.00 54.13 57.42 3a79 s LEU 469 Cb 0.36 -3.57 -0.24 0.00 0.02 0.00 0.00 46.19 42.75 3a79 s LEU 469 CO -0.10 -0.97 0.38 0.47 0.02 0.00 0.00 176.35 176.15 3a79 n ASP 470 N 5.20 0.30 -3.67 2.29 8.00 -1.26 -2.68 116.55 124.73 3a79 n ASP 470 Ca 0.17 0.14 -0.08 0.00 0.71 0.00 0.00 54.79 55.72 3a79 n ASP 470 Cb 0.38 0.84 -0.09 0.00 -0.02 0.00 0.00 41.12 42.22 3a79 n ASP 470 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 3a79 s SER 471 N -5.48 -0.59 -0.40 -2.24 1.04 -1.26 -4.22 113.70 100.55 3a79 s SER 471 Ca -0.07 1.10 -0.13 0.00 0.48 0.00 0.00 55.95 57.33 3a79 s SER 471 Cb 0.08 1.18 0.03 0.00 0.10 0.00 0.00 66.02 67.41 3a79 s SER 471 CO 0.84 -0.22 0.27 0.12 0.98 0.00 0.00 173.24 175.23 3a79 s PHE 472 N 1.90 3.25 -0.50 5.02 5.36 -1.26 -4.45 117.98 127.30 3a79 s PHE 472 Ca -0.07 -0.79 0.07 0.00 -0.96 0.00 0.00 56.93 55.18 3a79 s PHE 472 Cb -0.09 -2.58 0.26 0.00 -0.34 0.00 0.00 43.02 40.26 3a79 s PHE 472 CO -0.15 -0.64 0.63 -1.13 -1.46 0.00 0.00 175.22 172.48 3a79 n SER 473 N 5.09 1.80 -3.66 6.13 3.41 -1.26 -4.65 113.62 120.48 3a79 n SER 473 Ca -0.11 -3.04 -0.21 0.00 -0.26 0.00 0.00 58.87 55.24 3a79 n SER 473 Cb 0.46 -0.65 -0.18 0.00 -0.26 0.00 0.00 64.21 63.58 3a79 n SER 473 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 3a79 s LEU 474 N -1.83 0.20 -0.21 1.04 2.96 -1.26 -5.07 118.68 114.51 3a79 s LEU 474 Ca 0.38 -0.06 -0.29 0.00 -0.22 0.00 0.00 54.13 53.93 3a79 s LEU 474 Cb 0.17 -0.17 -0.03 0.00 0.50 0.00 0.00 46.19 46.66 3a79 s LEU 474 CO -0.07 -0.27 1.61 0.12 -1.32 0.00 0.00 176.35 176.43 3a79 s PHE 475 N 2.16 2.11 -0.41 5.38 5.99 -1.26 -4.81 117.98 127.14 3a79 s PHE 475 Ca 0.04 0.54 0.04 0.00 0.00 0.00 0.00 56.93 57.55 3a79 s PHE 475 Cb -0.13 -3.97 0.17 0.00 0.00 0.00 0.00 43.02 39.09 3a79 s PHE 475 CO -0.04 -2.95 0.33 -0.51 -0.00 0.00 0.00 175.22 172.05 3a79 s LEU 476 N 5.14 1.34 0.01 6.12 1.43 -0.55 -4.83 118.68 127.34 3a79 s LEU 476 Ca 0.71 -2.99 -0.01 0.00 -1.03 0.00 0.00 54.13 50.81 3a79 s LEU 476 Cb -0.25 -0.42 -0.00 0.00 0.03 0.00 0.00 46.19 45.55 3a79 s LEU 476 CO 0.29 -0.18 1.02 -0.65 0.23 0.00 0.00 176.35 177.06 3a79 h PRO 477 N 5.75 -0.01 0.00 1.29 0.11 -1.79 -1.65 132.00 135.70 3a79 h PRO 477 Ca 0.25 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.36 3a79 h PRO 477 Cb 0.92 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.03 3a79 h PRO 477 CO 0.36 -0.01 0.20 0.00 -0.21 0.00 0.00 178.00 178.34 3a79 h ARG 478 N -0.01 0.00 -5.75 1.05 3.08 -1.84 -3.36 114.38 107.54 3a79 h ARG 478 Ca 0.00 0.00 -0.62 0.00 0.07 0.00 0.00 59.98 59.44 3a79 h ARG 478 Cb 0.02 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.04 3a79 h ARG 478 CO -0.03 0.00 1.50 -0.11 -1.07 0.00 0.00 179.97 180.26 3a79 n LEU 479 N -2.63 1.65 -0.02 3.04 7.94 -0.62 -4.64 117.00 121.73 3a79 n LEU 479 Ca -0.02 0.26 -0.01 0.00 -1.11 0.00 0.00 56.01 55.13 3a79 n LEU 479 Cb 0.24 -1.21 -0.00 0.00 0.53 0.00 0.00 43.42 42.98 3a79 n LEU 479 CO 0.12 -0.86 -0.06 1.56 -1.11 0.00 0.00 177.39 177.04 3a79 h GLN 480 N 13.02 0.00 -6.18 1.96 4.20 -1.01 -3.10 115.11 124.00 3a79 h GLN 480 Ca -0.20 0.00 -0.58 0.00 0.06 0.00 0.00 58.65 57.93 3a79 h GLN 480 Cb 1.32 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 29.07 3a79 h GLN 480 CO 1.12 0.00 -0.28 -1.21 -0.67 0.00 0.00 178.83 177.79 3a79 s GLU 481 N -1.31 3.67 -0.44 1.46 2.02 -0.92 -0.43 118.70 122.75 3a79 s GLU 481 Ca -0.02 0.01 0.05 0.00 0.02 0.00 0.00 54.97 55.03 3a79 s GLU 481 Cb 0.00 -2.86 0.19 0.00 0.10 0.00 0.00 34.13 31.56 3a79 s GLU 481 CO 0.04 0.47 0.49 -0.11 0.02 0.00 0.00 175.26 176.16 3a79 n LEU 482 N 0.25 -1.27 -4.63 1.80 7.94 -1.12 -2.83 117.00 117.15 3a79 n LEU 482 Ca -0.03 -4.00 -0.43 0.00 -1.11 0.00 0.00 56.01 50.44 3a79 n LEU 482 Cb 0.52 0.63 -0.03 0.00 0.53 0.00 0.00 43.42 45.07 3a79 n LEU 482 CO 0.47 1.91 1.41 -0.31 -1.11 0.00 0.00 177.39 179.76 3a79 s TYR 483 N 0.14 2.00 -0.21 1.96 1.51 -0.53 -3.36 117.35 118.86 3a79 s TYR 483 Ca 0.32 0.51 0.20 0.00 -1.01 0.00 0.00 57.07 57.09 3a79 s TYR 483 Cb 0.06 -4.01 0.44 0.00 -0.11 0.00 0.00 41.96 38.34 3a79 s TYR 483 CO -0.15 -3.10 1.20 1.51 -1.11 0.00 0.00 175.55 173.90 3a79 n ILE 484 N 6.53 0.70 -0.28 2.71 3.06 0.79 -0.54 119.36 132.32 3a79 n ILE 484 Ca 0.20 -1.98 0.00 0.00 -2.50 0.00 0.00 62.75 58.46 3a79 n ILE 484 Cb 0.45 1.14 0.00 0.00 0.54 0.00 0.00 39.64 41.77 3a79 n ILE 484 CO 0.00 0.00 0.00 -1.20 -2.50 0.00 0.00 176.55 172.85 3a79 n SER 485 N -0.54 -0.61 -3.78 9.51 7.64 -1.03 -4.44 113.62 120.37 3a79 n SER 485 Ca -0.01 -0.28 -0.13 0.00 1.01 0.00 0.00 58.87 59.47 3a79 n SER 485 Cb 0.87 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 64.08 3a79 n SER 485 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3a79 n ARG 486 N -0.89 -0.81 -3.35 1.43 1.74 -1.18 -2.30 116.66 111.31 3a79 n ARG 486 Ca 0.00 -0.34 -0.15 0.00 -0.77 0.00 0.00 57.85 56.59 3a79 n ARG 486 Cb 0.00 -0.00 -0.04 0.00 -1.02 0.00 0.00 32.46 31.40 3a79 n ARG 486 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3a79 n ASN 487 N 0.08 1.83 -1.86 0.55 4.13 -1.20 -2.74 115.26 116.05 3a79 n ASN 487 Ca -0.03 -2.17 -0.20 0.00 1.68 0.00 0.00 54.58 53.86 3a79 n ASN 487 Cb 0.15 0.39 0.15 0.00 -1.54 0.00 0.00 39.78 38.93 3a79 n ASN 487 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 3a79 n LYS 488 N -0.57 2.33 -2.35 3.52 5.02 -1.09 -4.28 118.16 120.73 3a79 n LYS 488 Ca -0.07 -3.25 -0.40 0.00 -2.02 0.00 0.00 58.31 52.56 3a79 n LYS 488 Cb 0.33 -2.09 -0.03 0.00 -0.02 0.00 0.00 35.03 33.23 3a79 n LYS 488 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 3a79 s LEU 489 N -3.43 3.27 0.05 -0.35 2.96 -1.21 -4.64 118.68 115.33 3a79 s LEU 489 Ca 0.54 0.00 -0.24 0.00 -0.22 0.00 0.00 54.13 54.21 3a79 s LEU 489 Cb 0.45 -2.70 -0.17 0.00 0.50 0.00 0.00 46.19 44.27 3a79 s LEU 489 CO 0.04 -1.96 1.57 0.11 -1.32 0.00 0.00 176.35 174.79 3a79 h LYS 490 N 11.77 -0.03 -6.05 1.98 1.57 -1.73 -1.41 116.57 122.67 3a79 h LYS 490 Ca -0.27 0.00 -0.64 0.00 -1.87 0.00 0.00 60.65 57.87 3a79 h LYS 490 Cb 1.10 0.01 -0.08 0.00 0.08 0.00 0.00 32.23 33.33 3a79 h LYS 490 CO 1.23 0.15 -0.57 -0.08 -0.57 0.00 0.00 179.45 179.61 3a79 s THR 491 N -5.50 4.81 0.27 -0.16 -1.32 -1.26 -3.62 115.64 108.86 3a79 s THR 491 Ca -0.14 -0.53 -0.17 0.00 -1.21 0.00 0.00 61.69 59.63 3a79 s THR 491 Cb 0.04 -3.28 -0.09 0.00 -1.51 0.00 0.00 72.50 67.67 3a79 s THR 491 CO 0.66 0.22 0.73 -0.22 -2.21 0.00 0.00 174.62 173.80 3a79 s LEU 492 N -2.15 4.20 0.47 9.08 0.20 -1.26 -4.88 118.68 124.33 3a79 s LEU 492 Ca 0.28 1.35 -0.24 0.00 0.69 0.00 0.00 54.13 56.21 3a79 s LEU 492 Cb -0.12 -3.84 -0.07 0.00 -0.43 0.00 0.00 46.19 41.73 3a79 s LEU 492 CO 0.20 -0.09 1.29 -2.16 -0.29 0.00 0.00 176.35 175.30 3a79 s PRO 493 N -2.49 3.64 0.28 0.98 0.04 -1.26 -4.98 135.00 131.21 3a79 s PRO 493 Ca 0.49 2.08 -0.30 0.00 0.04 0.00 0.00 61.00 63.31 3a79 s PRO 493 Cb -0.13 -2.50 -0.11 0.00 0.04 0.00 0.00 34.50 31.80 3a79 s PRO 493 CO 0.19 -0.74 1.59 0.34 0.04 0.00 0.00 177.00 178.41 3a79 s ASP 494 N -0.97 6.40 0.00 6.66 2.15 -1.26 -4.89 116.67 124.76 3a79 s ASP 494 Ca 0.64 2.91 0.13 0.00 0.43 0.00 0.00 52.55 56.65 3a79 s ASP 494 Cb -0.36 -2.63 0.76 0.00 -0.30 0.00 0.00 42.92 40.38 3a79 s ASP 494 CO 0.45 -0.89 1.34 0.00 -0.17 0.00 0.00 175.17 175.90 3a79 n ALA 495 N 2.33 2.39 0.03 3.66 0.00 -1.26 -2.31 120.51 125.34 3a79 n ALA 495 Ca 0.09 -0.08 0.02 0.00 0.00 0.00 0.00 53.44 53.47 3a79 n ALA 495 Cb 0.38 -1.21 -0.08 0.00 0.00 0.00 0.00 19.45 18.54 3a79 n ALA 495 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3a79 n SER 496 N -0.75 0.73 0.13 0.00 3.41 -1.26 -4.17 113.62 111.71 3a79 n SER 496 Ca 0.10 0.31 0.08 0.00 -0.26 0.00 0.00 58.87 59.10 3a79 n SER 496 Cb 0.04 0.41 0.42 0.00 -0.26 0.00 0.00 64.21 64.83 3a79 n SER 496 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3a79 n LEU 497 N -2.79 0.40 -2.82 1.04 4.77 -0.98 -3.69 117.00 112.94 3a79 n LEU 497 Ca -0.09 0.66 -0.07 0.00 -0.03 0.00 0.00 56.01 56.48 3a79 n LEU 497 Cb 0.79 -0.70 0.01 0.00 -2.33 0.00 0.00 43.42 41.19 3a79 n LEU 497 CO 0.43 -0.80 0.09 2.22 -1.33 0.00 0.00 177.39 178.00 3a79 n PHE 498 N -2.05 -3.47 0.30 -1.77 1.16 -1.26 -1.48 117.46 108.89 3a79 n PHE 498 Ca -0.01 -1.63 0.17 0.00 -1.87 0.00 0.00 57.45 54.12 3a79 n PHE 498 Cb 0.08 1.37 0.96 0.00 -1.61 0.00 0.00 39.48 40.29 3a79 n PHE 498 CO 0.00 0.00 0.00 -1.35 -1.87 0.00 0.00 176.76 173.54 3a79 h PRO 499 N 4.84 0.00 -0.40 3.97 0.11 -1.71 -2.50 132.00 136.31 3a79 h PRO 499 Ca 0.04 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.15 3a79 h PRO 499 Cb 1.08 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.19 3a79 h PRO 499 CO 0.11 0.03 0.00 1.33 -0.21 0.00 0.00 178.00 179.26 3a79 n VAL 500 N -3.48 1.18 -0.89 3.15 0.24 -1.26 -4.77 118.33 112.50 3a79 n VAL 500 Ca -0.02 -1.10 -0.30 0.00 -2.04 0.00 0.00 64.34 60.88 3a79 n VAL 500 Cb 0.13 0.40 -0.01 0.00 -1.47 0.00 0.00 33.84 32.89 3a79 n VAL 500 CO 0.00 0.00 0.00 -0.11 -2.14 0.00 0.00 176.83 174.58 3a79 n LEU 501 N 0.57 -1.32 0.00 1.34 -0.00 -0.94 -4.64 117.00 112.01 3a79 n LEU 501 Ca 0.15 0.65 0.00 0.00 -0.00 0.00 0.00 56.01 56.80 3a79 n LEU 501 Cb 0.52 -0.60 0.00 0.00 -0.00 0.00 0.00 43.42 43.34 3a79 n LEU 501 CO 0.11 -2.33 -0.41 0.18 -0.00 0.00 0.00 177.39 174.93 3a79 n LEU 502 N 1.42 0.66 -3.92 -1.96 4.77 0.43 -2.98 117.00 115.41 3a79 n LEU 502 Ca 0.10 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.98 3a79 n LEU 502 Cb 0.21 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.20 3a79 n LEU 502 CO 0.36 0.11 -0.22 -0.69 -1.33 0.00 0.00 177.39 175.62 3a79 s VAL 503 N -1.82 0.12 -0.39 4.08 1.01 -0.89 -1.48 120.40 121.03 3a79 s VAL 503 Ca 0.00 -1.00 0.05 0.00 0.00 0.00 0.00 61.98 61.03 3a79 s VAL 503 Cb 0.00 -0.74 0.17 0.00 0.00 0.00 0.00 36.38 35.80 3a79 s VAL 503 CO 0.00 -0.55 0.48 -0.32 0.00 0.00 0.00 175.10 174.70 3a79 s MET 504 N -2.26 0.73 -0.88 2.72 1.75 -1.19 -2.77 119.30 117.40 3a79 s MET 504 Ca -0.08 -0.69 -0.25 0.00 -1.25 0.00 0.00 55.69 53.42 3a79 s MET 504 Cb -0.03 -0.43 0.03 0.00 2.84 0.00 0.00 34.83 37.24 3a79 s MET 504 CO -0.03 -1.20 1.47 0.21 -0.65 0.00 0.00 175.02 174.81 3a79 s LYS 505 N 1.52 3.28 -0.33 4.11 2.20 -1.21 -2.66 119.74 126.65 3a79 s LYS 505 Ca 0.17 -0.61 0.13 0.00 -0.36 0.00 0.00 55.97 55.30 3a79 s LYS 505 Cb -0.11 -4.85 0.46 0.00 -1.51 0.00 0.00 37.83 31.83 3a79 s LYS 505 CO -0.04 -2.34 1.10 1.51 -0.36 0.00 0.00 175.35 175.22 3a79 n ILE 506 N 6.83 1.86 -0.64 5.43 3.06 -1.21 -0.15 119.36 134.54 3a79 n ILE 506 Ca 0.22 -3.86 0.00 0.00 -2.50 0.00 0.00 62.75 56.62 3a79 n ILE 506 Cb 0.50 -0.21 0.00 0.00 0.54 0.00 0.00 39.64 40.47 3a79 n ILE 506 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 3a79 n ALA 507 N -0.48 0.00 -3.33 1.51 0.00 -1.25 -4.67 120.51 112.28 3a79 n ALA 507 Ca 0.26 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.56 3a79 n ALA 507 Cb 0.82 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 20.22 3a79 n ALA 507 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3a79 n SER 508 N -0.33 0.43 -1.15 0.00 2.88 -0.82 -3.07 113.62 111.56 3a79 n SER 508 Ca 0.00 -0.59 0.00 0.00 -1.33 0.00 0.00 58.87 56.95 3a79 n SER 508 Cb 0.00 -0.73 0.00 0.00 -0.75 0.00 0.00 64.21 62.73 3a79 n SER 508 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 3a79 n ASN 509 N -1.16 1.65 -1.11 -3.46 3.02 -1.24 -3.21 115.26 109.74 3a79 n ASN 509 Ca -0.15 -0.58 -0.02 0.00 -0.03 0.00 0.00 54.58 53.80 3a79 n ASN 509 Cb 0.32 0.00 0.21 0.00 -0.61 0.00 0.00 39.78 39.70 3a79 n ASN 509 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3a79 n GLN 510 N -0.10 1.98 -2.16 3.52 1.13 -0.56 -4.40 117.38 116.80 3a79 n GLN 510 Ca 0.00 -3.12 -0.43 0.00 -1.94 0.00 0.00 57.00 51.51 3a79 n GLN 510 Cb 0.00 -1.82 -0.02 0.00 0.11 0.00 0.00 30.24 28.51 3a79 n GLN 510 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 3a79 s LEU 511 N -3.18 4.17 -0.02 1.08 1.43 -1.05 -4.10 118.68 117.00 3a79 s LEU 511 Ca 0.44 1.91 -0.00 0.00 -1.03 0.00 0.00 54.13 55.45 3a79 s LEU 511 Cb 0.40 -3.53 -0.00 0.00 0.03 0.00 0.00 46.19 43.08 3a79 s LEU 511 CO 0.01 -0.97 0.03 0.11 0.23 0.00 0.00 176.35 175.77 3a79 h LYS 512 N 9.46 -0.01 -2.49 1.70 1.57 -1.66 -3.32 116.57 121.83 3a79 h LYS 512 Ca -0.34 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.36 3a79 h LYS 512 Cb 1.15 0.00 -0.25 0.00 0.08 0.00 0.00 32.23 33.21 3a79 h LYS 512 CO 0.97 -0.01 -0.21 -1.54 -0.57 0.00 0.00 179.45 178.09 3a79 s SER 513 N -3.55 -0.61 0.24 0.86 1.04 -1.26 -3.07 113.70 107.34 3a79 s SER 513 Ca -0.00 1.04 -0.23 0.00 0.48 0.00 0.00 55.95 57.24 3a79 s SER 513 Cb 0.00 0.93 -0.09 0.00 0.10 0.00 0.00 66.02 66.96 3a79 s SER 513 CO 0.00 -0.20 0.80 0.68 0.98 0.00 0.00 173.24 175.50 3a79 s VAL 514 N 1.34 4.42 0.23 5.02 -7.23 -1.26 -4.96 120.40 117.96 3a79 s VAL 514 Ca -0.09 1.53 -0.31 0.00 -1.81 0.00 0.00 61.98 61.30 3a79 s VAL 514 Cb -0.07 -3.96 -0.14 0.00 0.56 0.00 0.00 36.38 32.77 3a79 s VAL 514 CO -0.13 0.26 1.37 -2.65 -0.31 0.00 0.00 175.10 173.64 3a79 n PRO 515 N 0.87 1.89 -2.04 4.82 -0.02 -1.26 -4.89 135.00 134.37 3a79 n PRO 515 Ca -0.02 0.67 -0.42 0.00 -2.02 0.00 0.00 63.50 61.72 3a79 n PRO 515 Cb 0.50 -2.31 -0.03 0.00 -0.02 0.00 0.00 33.50 31.65 3a79 n PRO 515 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3a79 s ASP 516 N 0.24 6.69 0.00 2.55 1.01 -1.26 -3.48 116.67 122.43 3a79 s ASP 516 Ca 0.69 2.46 0.00 0.00 0.71 0.00 0.00 52.55 56.41 3a79 s ASP 516 Cb -0.68 -2.58 0.00 0.00 1.01 0.00 0.00 42.92 40.66 3a79 s ASP 516 CO 0.50 -0.77 0.00 0.61 0.21 0.00 0.00 175.17 175.72 3a79 n GLY 517 N 3.69 0.51 0.05 0.21 0.00 -1.26 -5.04 105.19 103.35 3a79 n GLY 517 Ca 0.13 -0.30 -0.05 0.00 0.00 0.00 0.00 46.02 45.80 3a79 n GLY 517 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 3a79 n ILE 518 N -0.60 0.57 -0.35 -0.61 0.13 -1.23 -4.50 119.36 112.77 3a79 n ILE 518 Ca 0.00 -0.29 -0.10 0.00 -1.10 0.00 0.00 62.75 61.26 3a79 n ILE 518 Cb 0.29 -0.82 0.04 0.00 -0.84 0.00 0.00 39.64 38.31 3a79 n ILE 518 CO 0.00 0.00 0.00 0.49 2.80 0.00 0.00 176.55 179.84 3a79 n PHE 519 N -2.53 1.07 -0.07 9.51 0.99 -1.26 -4.18 117.46 120.99 3a79 n PHE 519 Ca -0.16 -1.38 -0.12 0.00 -0.00 0.00 0.00 57.45 55.79 3a79 n PHE 519 Cb 0.73 -0.68 -0.09 0.00 -1.00 0.00 0.00 39.48 38.43 3a79 n PHE 519 CO 0.00 0.00 0.00 -0.44 -0.00 0.00 0.00 176.76 176.32 3a79 h ASP 520 N 0.92 0.00 0.02 4.37 3.32 -1.99 -3.36 116.42 119.71 3a79 h ASP 520 Ca 0.21 -0.65 0.00 0.00 0.02 0.00 0.00 57.03 56.61 3a79 h ASP 520 Cb 1.22 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.77 3a79 h ASP 520 CO 0.47 0.97 -0.03 -2.11 -1.72 0.00 0.00 179.24 176.83 3a79 n ARG 521 N -4.61 1.46 -1.43 3.56 0.00 -1.26 -3.95 116.66 110.44 3a79 n ARG 521 Ca -0.12 -0.77 -0.26 0.00 -0.00 0.00 0.00 57.85 56.70 3a79 n ARG 521 Cb 0.41 -1.48 -0.08 0.00 -0.00 0.00 0.00 32.46 31.31 3a79 n ARG 521 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 3a79 n LEU 522 N -0.10 6.61 -0.20 2.89 4.77 -1.26 -4.65 117.00 125.06 3a79 n LEU 522 Ca 0.19 -4.00 0.00 0.00 -0.03 0.00 0.00 56.01 52.17 3a79 n LEU 522 Cb 0.32 -1.33 0.00 0.00 -2.33 0.00 0.00 43.42 40.08 3a79 n LEU 522 CO 0.18 1.81 0.17 0.35 -1.33 0.00 0.00 177.39 178.57 3a79 n THR 523 N 1.68 0.00 0.00 -5.08 -2.24 -1.25 -2.64 114.28 104.74 3a79 n THR 523 Ca 0.52 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.30 3a79 n THR 523 Cb 0.57 -0.26 0.00 0.00 -2.10 0.00 0.00 70.33 68.54 3a79 n THR 523 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 3a79 n SER 524 N -0.19 2.34 -4.66 3.42 7.64 -1.26 -5.05 113.62 115.86 3a79 n SER 524 Ca 0.00 0.00 -0.60 0.00 1.01 0.00 0.00 58.87 59.28 3a79 n SER 524 Cb 0.04 0.18 -0.08 0.00 -1.01 0.00 0.00 64.21 63.34 3a79 n SER 524 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 3a79 n LEU 525 N -1.45 1.43 0.00 -3.43 7.94 -1.08 -4.63 117.00 115.78 3a79 n LEU 525 Ca 0.00 1.13 0.00 0.00 -1.11 0.00 0.00 56.01 56.03 3a79 n LEU 525 Cb 0.25 -1.03 0.00 0.00 0.53 0.00 0.00 43.42 43.17 3a79 n LEU 525 CO 0.00 -0.96 0.27 0.00 -1.11 0.00 0.00 177.39 175.59 3a79 n GLN 526 N 3.65 0.04 -3.62 1.96 10.64 -0.55 -5.02 117.38 124.48 3a79 n GLN 526 Ca 0.25 -0.65 -0.08 0.00 -1.83 0.00 0.00 57.00 54.69 3a79 n GLN 526 Cb 0.08 -0.91 -0.06 0.00 -0.86 0.00 0.00 30.24 28.48 3a79 n GLN 526 CO 0.00 0.00 0.00 0.21 -1.83 0.00 0.00 177.06 175.44 3a79 s LYS 527 N -0.22 0.39 0.06 2.61 2.20 -1.18 -4.48 119.74 119.13 3a79 s LYS 527 Ca 0.00 0.31 -0.18 0.00 -0.36 0.00 0.00 55.97 55.74 3a79 s LYS 527 Cb 0.00 0.19 0.04 0.00 -1.51 0.00 0.00 37.83 36.55 3a79 s LYS 527 CO 0.00 -0.08 0.42 -1.50 -0.36 0.00 0.00 175.35 173.83 3a79 s ILE 528 N -0.29 0.06 -0.05 5.43 2.07 -1.26 -3.16 121.20 123.99 3a79 s ILE 528 Ca 0.03 -0.46 0.04 0.00 -1.41 0.00 0.00 60.65 58.86 3a79 s ILE 528 Cb -0.03 -1.00 -0.00 0.00 0.13 0.00 0.00 42.46 41.55 3a79 s ILE 528 CO -0.06 -0.25 -0.18 0.26 -1.91 0.00 0.00 174.94 172.79 3a79 s TRP 529 N -2.76 1.86 0.00 3.50 0.51 -1.09 -2.20 118.94 118.77 3a79 s TRP 529 Ca -0.04 -0.58 0.00 0.00 -2.12 0.00 0.00 56.10 53.37 3a79 s TRP 529 Cb -0.00 -1.26 0.00 0.00 -0.81 0.00 0.00 33.47 31.40 3a79 s TRP 529 CO -0.04 -0.21 0.00 1.28 -0.51 0.00 0.00 176.95 177.47 3a79 n LEU 530 N 3.21 0.00 0.00 2.99 4.32 -1.26 -3.35 117.00 122.91 3a79 n LEU 530 Ca -0.19 0.00 -0.06 0.00 -0.02 0.00 0.00 56.01 55.74 3a79 n LEU 530 Cb 0.53 0.00 0.06 0.00 -1.62 0.00 0.00 43.42 42.39 3a79 n LEU 530 CO 0.25 0.00 0.07 0.00 -1.22 0.00 0.00 177.39 176.49 3a79 n HIS 531 N 0.00 -1.54 -1.70 -1.77 1.44 -1.26 -4.28 115.22 106.10 3a79 n HIS 531 Ca 0.00 0.07 -0.08 0.00 -2.01 0.00 0.00 57.72 55.70 3a79 n HIS 531 Cb 0.00 -0.73 0.01 0.00 0.12 0.00 0.00 29.99 29.38 3a79 n HIS 531 CO 0.00 0.00 0.00 2.41 -2.81 0.00 0.00 176.34 175.94 3a79 n THR 532 N -3.29 -1.08 -3.64 0.61 -1.04 -1.26 -3.10 114.28 101.48 3a79 n THR 532 Ca 0.03 0.08 -0.05 0.00 -2.04 0.00 0.00 64.05 62.07 3a79 n THR 532 Cb 0.12 -1.15 -0.06 0.00 -1.82 0.00 0.00 70.33 67.42 3a79 n THR 532 CO 0.00 0.00 0.00 0.21 -0.64 0.00 0.00 175.07 174.64 3a79 s ASN 533 N -0.44 -1.00 -0.83 8.00 3.84 -1.26 -1.95 114.94 121.30 3a79 s ASN 533 Ca 0.08 1.51 -0.25 0.00 0.21 0.00 0.00 52.86 54.41 3a79 s ASN 533 Cb -0.01 1.69 -0.00 0.00 -0.55 0.00 0.00 41.25 42.38 3a79 s ASN 533 CO 0.19 -0.23 1.67 -2.84 -2.79 0.00 0.00 177.10 173.10 3a79 s PRO 534 N 2.06 2.96 0.00 0.43 0.02 -1.26 -4.54 135.00 134.67 3a79 s PRO 534 Ca -0.09 -0.28 0.00 0.00 0.02 0.00 0.00 61.00 60.65 3a79 s PRO 534 Cb -0.07 -4.81 0.00 0.00 0.02 0.00 0.00 34.50 29.63 3a79 s PRO 534 CO -0.19 -2.69 0.00 0.91 -0.33 0.00 0.00 177.00 174.69 3a79 n TRP 535 N 11.51 0.00 -2.78 6.54 7.02 -1.25 -3.79 117.44 134.70 3a79 n TRP 535 Ca 0.27 0.00 -0.02 0.00 -1.02 0.00 0.00 57.50 56.73 3a79 n TRP 535 Cb 0.50 0.00 0.02 0.00 -2.42 0.00 0.00 31.31 29.40 3a79 n TRP 535 CO 0.00 0.00 0.00 0.34 -2.02 0.00 0.00 177.69 176.01 3a79 s ASP 536 N -1.00 -0.72 -1.01 -0.99 2.15 -1.17 -4.40 116.67 109.51 3a79 s ASP 536 Ca 0.00 -0.69 -0.06 0.00 0.43 0.00 0.00 52.55 52.24 3a79 s ASP 536 Cb 0.00 0.94 0.03 0.00 -0.30 0.00 0.00 42.92 43.59 3a79 s ASP 536 CO 0.00 -0.04 2.70 0.00 -0.17 0.00 0.00 175.17 177.65 3a79 s SER 538 N 0.80 6.63 0.34 0.00 0.01 -1.26 -4.95 113.70 115.27 3a79 s SER 538 Ca 0.59 0.76 0.11 0.00 1.31 0.00 0.00 55.95 58.72 3a79 s SER 538 Cb 0.25 -2.36 0.91 0.00 0.21 0.00 0.00 66.02 65.03 3a79 s SER 538 CO -0.11 -0.42 1.75 0.00 0.41 0.00 0.00 173.24 174.86 3a79 n PRO 540 N -4.80 0.16 0.00 0.00 -0.02 -1.26 -4.08 135.00 125.01 3a79 n PRO 540 Ca 0.26 0.42 0.00 0.00 -2.02 0.00 0.00 63.50 62.16 3a79 n PRO 540 Cb 0.74 -1.83 0.00 0.00 -0.02 0.00 0.00 33.50 32.39 3a79 n PRO 540 CO 0.00 0.00 0.00 2.89 1.98 0.00 0.00 175.50 180.37 3a79 n ARG 541 N -2.14 1.50 -0.92 -0.52 0.00 0.39 -4.84 116.66 110.13 3a79 n ARG 541 Ca 0.02 0.00 -0.10 0.00 -0.00 0.00 0.00 57.85 57.77 3a79 n ARG 541 Cb 0.20 -0.96 -0.14 0.00 -0.00 0.00 0.00 32.46 31.56 3a79 n ARG 541 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.63 179.14 3a79 n ILE 542 N -2.20 2.84 0.00 8.89 3.06 -0.05 -4.61 119.36 127.30 3a79 n ILE 542 Ca 0.00 -1.34 0.00 0.00 -2.50 0.00 0.00 62.75 58.91 3a79 n ILE 542 Cb 0.46 -1.92 0.00 0.00 0.54 0.00 0.00 39.64 38.72 3a79 n ILE 542 CO 0.00 0.00 0.00 0.47 -2.50 0.00 0.00 176.55 174.52 3a79 n ASP 543 N 2.34 0.00 0.00 9.51 8.00 -1.26 -3.58 116.55 131.55 3a79 n ASP 543 Ca 0.36 0.52 0.00 0.00 0.71 0.00 0.00 54.79 56.38 3a79 n ASP 543 Cb 0.85 -0.16 0.00 0.00 -0.02 0.00 0.00 41.12 41.79 3a79 n ASP 543 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3a79 n TYR 544 N -0.99 0.00 -0.23 1.24 9.36 -1.26 -2.14 117.16 123.14 3a79 n TYR 544 Ca 0.00 0.00 0.06 0.00 3.32 0.00 0.00 57.90 61.28 3a79 n TYR 544 Cb 0.00 -0.46 0.13 0.00 -0.63 0.00 0.00 39.34 38.39 3a79 n TYR 544 CO 0.00 0.00 0.00 -0.11 0.22 0.00 0.00 176.86 176.97 3a79 n LEU 545 N -2.23 -0.17 -0.37 2.98 7.94 -1.26 0.11 117.00 124.01 3a79 n LEU 545 Ca 0.00 1.11 0.04 0.00 -1.11 0.00 0.00 56.01 56.05 3a79 n LEU 545 Cb 0.00 -0.36 0.20 0.00 0.53 0.00 0.00 43.42 43.78 3a79 n LEU 545 CO 0.00 -1.09 1.26 0.28 -1.11 0.00 0.00 177.39 176.73 3a79 h SER 546 N 0.00 1.01 0.41 1.96 0.02 -1.48 -2.18 113.55 113.29 3a79 h SER 546 Ca 0.34 0.02 -0.18 0.00 -0.84 0.00 0.00 61.79 61.14 3a79 h SER 546 Cb 0.61 -0.19 -0.03 0.00 0.14 0.00 0.00 62.40 62.93 3a79 h SER 546 CO -0.64 0.61 -1.74 0.54 -1.14 0.00 0.00 176.83 174.46 3a79 n ARG 547 N -4.54 0.64 -0.00 3.45 1.74 0.12 -4.19 116.66 113.89 3a79 n ARG 547 Ca 0.17 0.09 -0.13 0.00 -0.77 0.00 0.00 57.85 57.20 3a79 n ARG 547 Cb 0.24 -1.69 -0.01 0.00 -1.02 0.00 0.00 32.46 29.98 3a79 n ARG 547 CO 0.00 0.00 0.00 2.35 -1.52 0.00 0.00 177.63 178.46 3a79 h TRP 548 N 0.00 0.83 0.00 -1.55 7.01 -1.15 -2.54 115.95 118.55 3a79 h TRP 548 Ca -0.22 -0.34 0.00 0.00 2.11 0.00 0.00 58.89 60.44 3a79 h TRP 548 Cb 1.61 -0.14 0.00 0.00 -2.10 0.00 0.00 29.16 28.53 3a79 h TRP 548 CO 0.00 1.13 0.00 -0.07 -2.79 0.00 0.00 178.44 176.71 3a79 h LEU 549 N 0.45 0.00 0.00 0.65 3.38 -1.57 -3.06 115.31 115.16 3a79 h LEU 549 Ca -0.02 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.67 3a79 h LEU 549 Cb 1.28 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.99 3a79 h LEU 549 CO 0.13 0.00 -1.55 0.59 0.09 0.00 0.00 178.44 177.71 3a79 n ASN 550 N -2.69 1.88 -0.27 -0.43 4.13 -1.08 -3.31 115.26 113.50 3a79 n ASN 550 Ca -0.02 0.41 0.08 0.00 1.68 0.00 0.00 54.58 56.73 3a79 n ASN 550 Cb 0.08 -0.92 0.21 0.00 -1.54 0.00 0.00 39.78 37.61 3a79 n ASN 550 CO 0.00 0.00 0.00 0.11 0.28 0.00 0.00 177.26 177.65 3a79 h LYS 551 N -1.00 0.19 -1.38 3.52 1.57 -1.38 -2.76 116.57 115.32 3a79 h LYS 551 Ca -0.41 -0.01 -0.59 0.00 -1.87 0.00 0.00 60.65 57.76 3a79 h LYS 551 Cb 1.33 -0.04 -0.41 0.00 0.08 0.00 0.00 32.23 33.19 3a79 h LYS 551 CO -0.25 0.12 -0.62 0.09 -0.57 0.00 0.00 179.45 178.22 3a79 n ASN 552 N -5.25 4.97 0.27 0.86 3.02 -1.17 -4.80 115.26 113.17 3a79 n ASN 552 Ca 0.16 -3.73 0.15 0.00 -0.03 0.00 0.00 54.58 51.13 3a79 n ASN 552 Cb 0.53 -0.48 0.72 0.00 -0.61 0.00 0.00 39.78 39.94 3a79 n ASN 552 CO 0.00 0.00 0.00 -1.28 -2.62 0.00 0.00 177.26 173.36 3a79 h SER 553 N 2.51 0.00 0.36 6.41 0.87 -1.48 0.26 113.55 122.49 3a79 h SER 553 Ca 0.33 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.89 3a79 h SER 553 Cb 0.99 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.94 3a79 h SER 553 CO 0.88 0.00 -0.25 0.06 -0.53 0.00 0.00 176.83 176.99 3a79 h GLN 554 N 0.00 -0.58 -4.84 2.24 3.07 -1.88 -3.32 115.11 109.80 3a79 h GLN 554 Ca 0.05 0.04 -0.61 0.00 0.09 0.00 0.00 58.65 58.22 3a79 h GLN 554 Cb 0.94 0.13 -0.02 0.00 0.08 0.00 0.00 27.48 28.61 3a79 h GLN 554 CO -0.00 -0.39 2.29 1.63 0.09 0.00 0.00 178.83 182.45 3a79 n LYS 555 N -5.38 2.29 0.00 0.06 5.02 0.92 -4.74 118.16 116.33 3a79 n LYS 555 Ca -0.10 -2.51 0.00 0.00 -2.02 0.00 0.00 58.31 53.68 3a79 n LYS 555 Cb 0.28 -3.31 0.00 0.00 -0.02 0.00 0.00 35.03 31.98 3a79 n LYS 555 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 3a79 n GLU 556 N 7.30 0.00 -4.99 1.97 0.00 -1.25 -4.10 120.64 119.57 3a79 n GLU 556 Ca 0.49 0.00 -0.27 0.00 0.00 0.00 0.00 57.16 57.38 3a79 n GLU 556 Cb 0.42 0.00 -0.15 0.00 0.00 0.00 0.00 31.44 31.71 3a79 n GLU 556 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.13 176.48 3a79 s GLN 557 N 0.00 1.69 0.00 5.31 -1.52 -0.94 -4.91 119.66 119.29 3a79 s GLN 557 Ca 0.00 -0.80 0.00 0.00 -1.95 0.00 0.00 55.36 52.61 3a79 s GLN 557 Cb 0.00 -1.66 0.00 0.00 -0.22 0.00 0.00 33.01 31.13 3a79 s GLN 557 CO 0.00 0.45 0.00 0.41 -0.25 0.00 0.00 175.29 175.90 3a79 n GLY 558 N 2.43 1.58 3.58 3.09 0.00 -1.26 -4.39 105.19 110.21 3a79 n GLY 558 Ca -0.16 -1.34 -0.39 0.00 0.00 0.00 0.00 46.02 44.14 3a79 n GLY 558 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3a79 s SER 559 N -0.01 6.06 0.13 1.61 1.04 -1.26 -4.48 113.70 116.79 3a79 s SER 559 Ca 0.00 -0.05 -0.31 0.00 0.48 0.00 0.00 55.95 56.07 3a79 s SER 559 Cb 0.00 -2.14 -0.11 0.00 0.10 0.00 0.00 66.02 63.88 3a79 s SER 559 CO 0.00 -0.10 1.83 0.00 0.98 0.00 0.00 173.24 175.95 3a79 n ALA 560 N 5.11 2.22 -2.61 5.32 0.00 -1.26 -4.57 120.51 124.72 3a79 n ALA 560 Ca -0.13 0.32 -0.39 0.00 0.00 0.00 0.00 53.44 53.23 3a79 n ALA 560 Cb 0.51 -2.59 -0.09 0.00 0.00 0.00 0.00 19.45 17.29 3a79 n ALA 560 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 3a79 s LYS 561 N 2.66 4.04 0.27 0.00 2.20 -1.26 -2.91 119.74 124.74 3a79 s LYS 561 Ca 0.82 0.14 -0.29 0.00 -0.36 0.00 0.00 55.97 56.27 3a79 s LYS 561 Cb -0.48 -3.65 -0.10 0.00 -1.51 0.00 0.00 37.83 32.09 3a79 s LYS 561 CO 0.37 -0.29 1.31 0.00 -0.36 0.00 0.00 175.35 176.38 3a79 s SER 563 N -0.10 4.42 0.00 0.00 1.04 -1.26 -2.29 113.70 115.51 3a79 s SER 563 Ca 0.53 0.12 0.00 0.00 0.48 0.00 0.00 55.95 57.08 3a79 s SER 563 Cb -0.38 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.20 3a79 s SER 563 CO 0.45 -3.27 0.00 0.61 0.98 0.00 0.00 173.24 172.01 3a79 n GLY 564 N 6.55 3.02 0.13 7.32 0.00 -1.26 -4.87 105.19 116.08 3a79 n GLY 564 Ca 0.41 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.23 3a79 n GLY 564 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3a79 n SER 565 N 0.00 1.99 0.00 1.61 7.64 -1.05 -4.98 113.62 118.83 3a79 n SER 565 Ca 0.00 -0.03 0.00 0.00 1.01 0.00 0.00 58.87 59.85 3a79 n SER 565 Cb 0.00 -0.53 0.00 0.00 -1.01 0.00 0.00 64.21 62.67 3a79 n SER 565 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3a79 n GLY 566 N 2.09 2.22 3.73 0.23 0.00 -0.97 -4.97 105.19 107.52 3a79 n GLY 566 Ca -0.45 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.15 3a79 n GLY 566 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3a79 s LYS 567 N -0.31 4.23 0.65 1.61 2.20 -1.26 -4.47 119.74 122.38 3a79 s LYS 567 Ca 0.00 2.35 -0.18 0.00 -0.36 0.00 0.00 55.97 57.79 3a79 s LYS 567 Cb 0.00 -3.13 -0.02 0.00 -1.51 0.00 0.00 37.83 33.18 3a79 s LYS 567 CO 0.00 -0.54 1.22 -2.30 -0.36 0.00 0.00 175.35 173.37 3a79 n PRO 568 N 3.19 1.04 0.01 4.03 -0.02 -1.26 -2.52 135.00 139.47 3a79 n PRO 568 Ca 0.11 0.41 0.13 0.00 -2.02 0.00 0.00 63.50 62.13 3a79 n PRO 568 Cb 0.39 -2.45 0.58 0.00 -0.02 0.00 0.00 33.50 31.99 3a79 n PRO 568 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3a79 n VAL 569 N -1.93 0.14 1.98 -1.45 0.31 -1.14 -2.64 118.33 113.59 3a79 n VAL 569 Ca 0.15 -0.02 0.04 0.00 -0.01 0.00 0.00 64.34 64.51 3a79 n VAL 569 Cb 0.48 -0.55 0.26 0.00 -0.91 0.00 0.00 33.84 33.13 3a79 n VAL 569 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 3a79 n ARG 570 N -1.59 0.99 -1.15 5.55 1.74 -1.26 -4.36 116.66 116.58 3a79 n ARG 570 Ca 0.07 0.00 -0.02 0.00 -0.77 0.00 0.00 57.85 57.13 3a79 n ARG 570 Cb 0.34 -1.14 0.01 0.00 -1.02 0.00 0.00 32.46 30.64 3a79 n ARG 570 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 3a79 n SER 571 N -0.64 0.17 0.00 0.55 7.64 -1.08 -4.88 113.62 115.39 3a79 n SER 571 Ca 0.07 -1.13 0.00 0.00 1.01 0.00 0.00 58.87 58.82 3a79 n SER 571 Cb 0.03 -0.04 0.00 0.00 -1.01 0.00 0.00 64.21 63.19 3a79 n SER 571 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 3a79 n ILE 572 N -1.12 0.00 -3.44 0.44 2.08 -1.26 -4.94 119.36 111.12 3a79 n ILE 572 Ca 0.01 0.00 -0.22 0.00 0.56 0.00 0.00 62.75 63.10 3a79 n ILE 572 Cb 0.05 0.00 0.02 0.00 -0.75 0.00 0.00 39.64 38.96 3a79 n ILE 572 CO 0.00 0.00 0.00 0.27 0.56 0.00 0.00 176.55 177.38 3a79 s ILE 573 N 0.00 2.12 -0.02 1.39 -5.25 -1.26 -5.02 121.20 113.15 3a79 s ILE 573 Ca 0.00 -1.24 0.03 0.00 -0.99 0.00 0.00 60.65 58.46 3a79 s ILE 573 Cb 0.00 -2.36 -0.00 0.00 2.95 0.00 0.00 42.46 43.05 3a79 s ILE 573 CO 0.00 0.00 -0.12 0.00 -1.79 0.00 0.00 174.94 173.03